2-[4-(4-ethanoylphenyl)piperazin-1-yl]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-6-(4-methylthiophen-2-yl)pyridin-1-ium-3-carboxamide

Systemtic Name: 2-[4-(4-ethanoylphenyl)piperazin-1-yl]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-6-(4-methylthiophen-2-yl)pyridin-1-ium-3-carboxamide Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-6-(4-methyl-2-thienyl)pyridin-1-ium-3-carboxamide CAS Name: 2-[4-(4-acetylphenyl)-1-piperazinyl]-N-methyl-N-(1-methyl-4-piperidin-1-iumyl)-6-(4-methyl-2-thiophenyl)-3-pyridin-1-iumcarboxamide IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-6-(4-methylthiophen-2-yl)pyridin-1-ium-3-carboxamide Traditional Name: 2-[4-(4-acetylphenyl)piperazino]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-6-(4-methyl-2-thienyl)pyridin-1-ium-3-carboxamide Formula: C30H39N5O2S+2 MolecularWeight: 533.72796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C2=[NH+]C(=C(C=C2)C(=O)N(C)C3CC[NH+](CC3)C)N4CCN(CC4)C5=CC=C(C=C5)C(=O)C

Isomeric SMILES

CC1=CSC(=C1)C2=[NH+]C(=C(C=C2)C(=O)N(C)C3CC[NH+](CC3)C)N4CCN(CC4)C5=CC=C(C=C5)C(=O)C

InChI

InChI=1S/C30H37N5O2S/c1-21-19-28(38-20-21)27-10-9-26(30(37)33(4)24-11-13-32(3)14-12-24)29(31-27)35-17-15-34(16-18-35)25-7-5-23(6-8-25)22(2)36/h5-10,19-20,24H,11-18H2,1-4H3/p+2