N-[3-[4-(4-methanoyl-1,4-diazepan-1-ium-1-yl)piperidin-1-yl]phenyl]-2-methoxy-benzamide

Systemtic Name: N-[3-[4-(4-methanoyl-1,4-diazepan-1-ium-1-yl)piperidin-1-yl]phenyl]-2-methoxy-benzamide Openeye Name: N-[3-[4-(4-formyl-1,4-diazepan-1-ium-1-yl)-1-piperidyl]phenyl]-2-methoxy-benzamide CAS Name: N-[3-[4-(4-formyl-1,4-diazepan-1-ium-1-yl)-1-piperidinyl]phenyl]-2-methoxybenzamide IUPAC Name: N-[3-[4-(4-formyl-1,4-diazepan-1-ium-1-yl)piperidin-1-yl]phenyl]-2-methoxybenzamide Traditional Name: N-[3-[4-(4-formyl-1,4-diazepan-1-ium-1-yl)piperidino]phenyl]-2-methoxy-benzamide Formula: C25H33N4O3+ MolecularWeight: 437.55452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)N3CCC(CC3)[NH+]4CCCN(CC4)C=O

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)N3CCC(CC3)[NH+]4CCCN(CC4)C=O

InChI

InChI=1S/C25H32N4O3/c1-32-24-9-3-2-8-23(24)25(31)26-20-6-4-7-22(18-20)29-14-10-21(11-15-29)28-13-5-12-27(19-30)16-17-28/h2-4,6-9,18-19,21H,5,10-17H2,1H3,(H,26,31)/p+1