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

Systemtic Name: [5-(1-benzothiophen-2-ylmethylcarbamoyl)-6-oxidanylidene-1H-pyridin-2-yl]methyl-butyl-methyl-azanium Openeye Name: [5-(benzothiophen-2-ylmethylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-butyl-methyl-ammonium CAS Name: [5-[(1-benzothiophen-2-ylmethylamino)-oxomethyl]-6-oxo-1H-pyridin-2-yl]methyl-butyl-methylammonium IUPAC Name: [5-(1-benzothiophen-2-ylmethylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-butyl-methylazanium Traditional Name: [5-(benzothiophen-2-ylmethylcarbamoyl)-6-keto-1H-pyridin-2-yl]methyl-butyl-methyl-ammonium Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)CC1=CC=C(C(=O)N1)C(=O)NCC2=CC3=CC=CC=C3S2

Isomeric SMILES

CCCC[NH+](C)CC1=CC=C(C(=O)N1)C(=O)NCC2=CC3=CC=CC=C3S2

InChI

InChI=1S/C21H25N3O2S/c1-3-4-11-24(2)14-16-9-10-18(21(26)23-16)20(25)22-13-17-12-15-7-5-6-8-19(15)27-17/h5-10,12H,3-4,11,13-14H2,1-2H3,(H,22,25)(H,23,26)/p+1