N-[4-methyl-1-oxidanylidene-1-[[3-oxidanylidene-1-(2-phenylethanoyl)azepan-1-ium-4-yl]amino]pentan-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-[4-methyl-1-oxidanylidene-1-[[3-oxidanylidene-1-(2-phenylethanoyl)azepan-1-ium-4-yl]amino]pentan-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[3-methyl-1-[[3-oxo-1-(2-phenylacetyl)azepan-1-ium-4-yl]carbamoyl]butyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[4-methyl-1-oxo-1-[[3-oxo-1-(1-oxo-2-phenylethyl)-4-azepan-1-iumyl]amino]pentan-2-yl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[4-methyl-1-oxo-1-[[3-oxo-1-(2-phenylacetyl)azepan-1-ium-4-yl]amino]pentan-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[1-[[3-keto-1-(2-phenylacetyl)azepan-1-ium-4-yl]carbamoyl]-3-methyl-butyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C29H36N3O6+ MolecularWeight: 522.61264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCC[NH+](CC1=O)C(=O)CC2=CC=CC=C2)NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CC(C)CC(C(=O)NC1CCC[NH+](CC1=O)C(=O)CC2=CC=CC=C2)NC(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C29H35N3O6/c1-19(2)15-22(31-29(36)26-18-37-24-12-6-7-13-25(24)38-26)28(35)30-21-11-8-14-32(17-23(21)33)27(34)16-20-9-4-3-5-10-20/h3-7,9-10,12-13,19,21-22,26H,8,11,14-18H2,1-2H3,(H,30,35)(H,31,36)/p+1