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

Systemtic Name: N-(1-benzothiophen-2-ylmethyl)-2-ethyl-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-6-methyl-4-oxidanylidene-pyridine-3-carboxamide Openeye Name: N-(benzothiophen-2-ylmethyl)-2-ethyl-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-6-methyl-4-oxo-pyridine-3-carboxamide CAS Name: N-(1-benzothiophen-2-ylmethyl)-2-ethyl-1-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-6-methyl-4-oxo-3-pyridinecarboxamide IUPAC Name: N-(1-benzothiophen-2-ylmethyl)-2-ethyl-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-6-methyl-4-oxopyridine-3-carboxamide Traditional Name: N-(benzothiophen-2-ylmethyl)-2-ethyl-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-keto-6-methyl-nicotinamide Formula: C25H32N3O2S+ MolecularWeight: 438.60548

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C=C(N1CC2CCC[NH+]2CC)C)C(=O)NCC3=CC4=CC=CC=C4S3

Isomeric SMILES

CCC1=C(C(=O)C=C(N1C[C@@H]2CCC[NH+]2CC)C)C(=O)NCC3=CC4=CC=CC=C4S3

InChI

InChI=1S/C25H31N3O2S/c1-4-21-24(25(30)26-15-20-14-18-9-6-7-11-23(18)31-20)22(29)13-17(3)28(21)16-19-10-8-12-27(19)5-2/h6-7,9,11,13-14,19H,4-5,8,10,12,15-16H2,1-3H3,(H,26,30)/p+1/t19-/m0/s1