(4-methyl-1,4-diazepan-4-ium-1-yl)-[5-[1-(naphthalen-1-ylmethyl)-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-yl]methanone

Systemtic Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-[5-[1-(naphthalen-1-ylmethyl)-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-yl]methanone Openeye Name: [5-[4-hydroxy-1-(1-naphthylmethyl)piperidin-1-ium-4-yl]benzofuran-2-yl]-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone CAS Name: [5-[4-hydroxy-1-(1-naphthalenylmethyl)-4-piperidin-1-iumyl]-2-benzofuranyl]-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: [5-[4-hydroxy-1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-yl]-1-benzofuran-2-yl]-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Traditional Name: [5-[4-hydroxy-1-(1-naphthylmethyl)piperidin-1-ium-4-yl]benzofuran-2-yl]-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Formula: C31H37N3O3+2 MolecularWeight: 499.64378

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)C2=CC3=C(O2)C=CC(=C3)C4(CC[NH+](CC4)CC5=CC=CC6=CC=CC=C65)O

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)C2=CC3=C(O2)C=CC(=C3)C4(CC[NH+](CC4)CC5=CC=CC6=CC=CC=C65)O

InChI

InChI=1S/C31H35N3O3/c1-32-14-5-15-34(19-18-32)30(35)29-21-25-20-26(10-11-28(25)37-29)31(36)12-16-33(17-13-31)22-24-8-4-7-23-6-2-3-9-27(23)24/h2-4,6-11,20-21,36H,5,12-19,22H2,1H3/p+2