N-(1-benzothiophen-2-ylmethyl)-2-oxidanylidene-6-[[(4S)-4-phenylazepan-1-ium-1-yl]methyl]-1H-pyridine-3-carboxamide

Systemtic Name: N-(1-benzothiophen-2-ylmethyl)-2-oxidanylidene-6-[[(4S)-4-phenylazepan-1-ium-1-yl]methyl]-1H-pyridine-3-carboxamide Openeye Name: N-(benzothiophen-2-ylmethyl)-2-oxo-6-[[(4S)-4-phenylazepan-1-ium-1-yl]methyl]-1H-pyridine-3-carboxamide CAS Name: N-(1-benzothiophen-2-ylmethyl)-2-oxo-6-[[(4S)-4-phenyl-1-azepan-1-iumyl]methyl]-1H-pyridine-3-carboxamide IUPAC Name: N-(1-benzothiophen-2-ylmethyl)-2-oxo-6-[[(4S)-4-phenylazepan-1-ium-1-yl]methyl]-1H-pyridine-3-carboxamide Traditional Name: N-(benzothiophen-2-ylmethyl)-2-keto-6-[[(4S)-4-phenylazepan-1-ium-1-yl]methyl]-1H-pyridine-3-carboxamide Formula: C28H30N3O2S+ MolecularWeight: 472.6217

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC[NH+](C1)CC2=CC=C(C(=O)N2)C(=O)NCC3=CC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

C1C[C@@H](CC[NH+](C1)CC2=CC=C(C(=O)N2)C(=O)NCC3=CC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C28H29N3O2S/c32-27(29-18-24-17-22-9-4-5-11-26(22)34-24)25-13-12-23(30-28(25)33)19-31-15-6-10-21(14-16-31)20-7-2-1-3-8-20/h1-5,7-9,11-13,17,21H,6,10,14-16,18-19H2,(H,29,32)(H,30,33)/p+1/t21-/m0/s1