10-(1-benzofuran-2-ylcarbonyl)-13-methyl-N-[1-(4-methylpentanoyl)-3-oxidanyl-azepan-4-yl]-3,9-dioxa-10-aza-6-azoniaspiro[5.8]tetradecane-11-carboxamide

Systemtic Name: 10-(1-benzofuran-2-ylcarbonyl)-13-methyl-N-[1-(4-methylpentanoyl)-3-oxidanyl-azepan-4-yl]-3,9-dioxa-10-aza-6-azoniaspiro[5.8]tetradecane-11-carboxamide Openeye Name: 10-(benzofuran-2-carbonyl)-N-[3-hydroxy-1-(4-methylpentanoyl)azepan-4-yl]-13-methyl-3,9-dioxa-10-aza-6-azoniaspiro[5.8]tetradecane-11-carboxamide CAS Name: 10-[2-benzofuranyl(oxo)methyl]-N-[3-hydroxy-1-(4-methyl-1-oxopentyl)-4-azepanyl]-13-methyl-3,9-dioxa-10-aza-6-azoniaspiro[5.8]tetradecane-11-carboxamide IUPAC Name: 10-(1-benzofuran-2-carbonyl)-N-[3-hydroxy-1-(4-methylpentanoyl)azepan-4-yl]-13-methyl-3,9-dioxa-10-aza-6-azoniaspiro[5.8]tetradecane-11-carboxamide Traditional Name: 10-(benzofuran-2-carbonyl)-N-[3-hydroxy-1-(4-methylpentanoyl)azepan-4-yl]-13-methyl-3,9-dioxa-10-aza-6-azoniaspiro[5.8]tetradecane-11-carboxamide Formula: C33H49N4O7+ MolecularWeight: 613.76476

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(N(OCC[N+]2(C1)CCOCC2)C(=O)C3=CC4=CC=CC=C4O3)C(=O)NC5CCCN(CC5O)C(=O)CCC(C)C

Isomeric SMILES

CC1CC(N(OCC[N+]2(C1)CCOCC2)C(=O)C3=CC4=CC=CC=C4O3)C(=O)NC5CCCN(CC5O)C(=O)CCC(C)C

InChI

InChI=1S/C33H48N4O7/c1-23(2)10-11-31(39)35-12-6-8-26(28(38)21-35)34-32(40)27-19-24(3)22-37(13-16-42-17-14-37)15-18-43-36(27)33(41)30-20-25-7-4-5-9-29(25)44-30/h4-5,7,9,20,23-24,26-28,38H,6,8,10-19,21-22H2,1-3H3/p+1