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

Systemtic Name: 2-[4-(4-ethanoylphenyl)piperazin-1-yl]-N,N-dimethyl-6-(4-methylthiophen-2-yl)pyridin-1-ium-3-carboxamide Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-N,N-dimethyl-6-(4-methyl-2-thienyl)pyridin-1-ium-3-carboxamide CAS Name: 2-[4-(4-acetylphenyl)-1-piperazinyl]-N,N-dimethyl-6-(4-methyl-2-thiophenyl)-3-pyridin-1-iumcarboxamide IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-N,N-dimethyl-6-(4-methylthiophen-2-yl)pyridin-1-ium-3-carboxamide Traditional Name: 2-[4-(4-acetylphenyl)piperazino]-N,N-dimethyl-6-(4-methyl-2-thienyl)pyridin-1-ium-3-carboxamide Formula: C25H29N4O2S+ MolecularWeight: 449.58836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C2=[NH+]C(=C(C=C2)C(=O)N(C)C)N3CCN(CC3)C4=CC=C(C=C4)C(=O)C

Isomeric SMILES

CC1=CSC(=C1)C2=[NH+]C(=C(C=C2)C(=O)N(C)C)N3CCN(CC3)C4=CC=C(C=C4)C(=O)C

InChI

InChI=1S/C25H28N4O2S/c1-17-15-23(32-16-17)22-10-9-21(25(31)27(3)4)24(26-22)29-13-11-28(12-14-29)20-7-5-19(6-8-20)18(2)30/h5-10,15-16H,11-14H2,1-4H3/p+1