(4-methyl-1,4-diazepan-4-ium-1-yl)-[5-[1-(naphthalen-2-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-2-ylmethyl)-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-yl]methanone Openeye Name: [5-[4-hydroxy-1-(2-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-(2-naphthalenylmethyl)-4-piperidin-1-iumyl]-2-benzofuranyl]-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: [5-[4-hydroxy-1-(naphthalen-2-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-(2-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=CC6=CC=CC=C6C=C5)O

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)C2=CC3=C(O2)C=CC(=C3)C4(CC[NH+](CC4)CC5=CC6=CC=CC=C6C=C5)O

InChI

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