2-(3,4-dimethylphenyl)sulfanyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]pyridine-3-carboxamide

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]pyridine-3-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]pyridine-3-carboxamide CAS Name: 2-[(3,4-dimethylphenyl)thio]-N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]-3-pyridinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]pyridine-3-carboxamide Traditional Name: 2-[(3,4-dimethylphenyl)thio]-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]nicotinamide Formula: C24H28N3O2S2+ MolecularWeight: 454.62802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NCC(C3=CC=CS3)[NH+]4CCOCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NC[C@@H](C3=CC=CS3)[NH+]4CCOCC4)C

InChI

InChI=1S/C24H27N3O2S2/c1-17-7-8-19(15-18(17)2)31-24-20(5-3-9-25-24)23(28)26-16-21(22-6-4-14-30-22)27-10-12-29-13-11-27/h3-9,14-15,21H,10-13,16H2,1-2H3,(H,26,28)/p+1/t21-/m0/s1