4,6-dimethyl-1-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-2-sulfanylidene-pyridine-3-carboxamide

Systemtic Name: 4,6-dimethyl-1-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-2-sulfanylidene-pyridine-3-carboxamide Openeye Name: 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4,6-dimethyl-2-thioxo-pyridine-3-carboxamide CAS Name: 4,6-dimethyl-1-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-2-sulfanylidene-3-pyridinecarboxamide IUPAC Name: 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4,6-dimethyl-2-sulfanylidenepyridine-3-carboxamide Traditional Name: 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4,6-dimethyl-2-thioxo-nicotinamide Formula: C21H28N3OS+ MolecularWeight: 370.53152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=S)N1C[NH+]2CCC(CC2)CC3=CC=CC=C3)C(=O)N)C

Isomeric SMILES

CC1=CC(=C(C(=S)N1C[NH+]2CCC(CC2)CC3=CC=CC=C3)C(=O)N)C

InChI

InChI=1S/C21H27N3OS/c1-15-12-16(2)24(21(26)19(15)20(22)25)14-23-10-8-18(9-11-23)13-17-6-4-3-5-7-17/h3-7,12,18H,8-11,13-14H2,1-2H3,(H2,22,25)/p+1