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

Systemtic Name: [5-(1-benzothiophen-2-ylmethylcarbamoyl)-6-oxidanylidene-1H-pyridin-2-yl]methyl-ethyl-(2-methylprop-2-enyl)azanium Openeye Name: [5-(benzothiophen-2-ylmethylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-ethyl-(2-methylallyl)ammonium CAS Name: [5-[(1-benzothiophen-2-ylmethylamino)-oxomethyl]-6-oxo-1H-pyridin-2-yl]methyl-ethyl-(2-methylprop-2-enyl)ammonium IUPAC Name: [5-(1-benzothiophen-2-ylmethylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-ethyl-(2-methylprop-2-enyl)azanium Traditional Name: [5-(benzothiophen-2-ylmethylcarbamoyl)-6-keto-1H-pyridin-2-yl]methyl-ethyl-(2-methylallyl)ammonium Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O2S/c1-4-25(13-15(2)3)14-17-9-10-19(22(27)24-17)21(26)23-12-18-11-16-7-5-6-8-20(16)28-18/h5-11H,2,4,12-14H2,1,3H3,(H,23,26)(H,24,27)/p+1