[5-(1-benzothiophen-2-ylmethylcarbamoyl)-6-oxidanylidene-1H-pyridin-2-yl]methyl-butyl-(phenylmethyl)azanium

Systemtic Name: [5-(1-benzothiophen-2-ylmethylcarbamoyl)-6-oxidanylidene-1H-pyridin-2-yl]methyl-butyl-(phenylmethyl)azanium Openeye Name: [5-(benzothiophen-2-ylmethylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-benzyl-butyl-ammonium CAS Name: [5-[(1-benzothiophen-2-ylmethylamino)-oxomethyl]-6-oxo-1H-pyridin-2-yl]methyl-butyl-(phenylmethyl)ammonium IUPAC Name: [5-(1-benzothiophen-2-ylmethylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-benzyl-butylazanium Traditional Name: [5-(benzothiophen-2-ylmethylcarbamoyl)-6-keto-1H-pyridin-2-yl]methyl-benzyl-butyl-ammonium Formula: C27H30N3O2S+ MolecularWeight: 460.611

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC1=CC=CC=C1)CC2=CC=C(C(=O)N2)C(=O)NCC3=CC4=CC=CC=C4S3

Isomeric SMILES

CCCC[NH+](CC1=CC=CC=C1)CC2=CC=C(C(=O)N2)C(=O)NCC3=CC4=CC=CC=C4S3

InChI

InChI=1S/C27H29N3O2S/c1-2-3-15-30(18-20-9-5-4-6-10-20)19-22-13-14-24(27(32)29-22)26(31)28-17-23-16-21-11-7-8-12-25(21)33-23/h4-14,16H,2-3,15,17-19H2,1H3,(H,28,31)(H,29,32)/p+1