N-(2-imidazol-1-ylethyl)-6-(4-methylthiophen-2-yl)-2-piperidin-1-yl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-(2-imidazol-1-ylethyl)-6-(4-methylthiophen-2-yl)-2-piperidin-1-yl-pyridin-1-ium-3-carboxamide Openeye Name: N-(2-imidazol-1-ylethyl)-6-(4-methyl-2-thienyl)-2-(1-piperidyl)pyridin-1-ium-3-carboxamide CAS Name: N-[2-(1-imidazolyl)ethyl]-6-(4-methyl-2-thiophenyl)-2-(1-piperidinyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-(2-imidazol-1-ylethyl)-6-(4-methylthiophen-2-yl)-2-piperidin-1-ylpyridin-1-ium-3-carboxamide Traditional Name: N-(2-imidazol-1-ylethyl)-6-(4-methyl-2-thienyl)-2-piperidino-pyridin-1-ium-3-carboxamide Formula: C21H26N5OS+ MolecularWeight: 396.52904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C2=[NH+]C(=C(C=C2)C(=O)NCCN3C=CN=C3)N4CCCCC4

Isomeric SMILES

CC1=CSC(=C1)C2=[NH+]C(=C(C=C2)C(=O)NCCN3C=CN=C3)N4CCCCC4

InChI

InChI=1S/C21H25N5OS/c1-16-13-19(28-14-16)18-6-5-17(20(24-18)26-9-3-2-4-10-26)21(27)23-8-12-25-11-7-22-15-25/h5-7,11,13-15H,2-4,8-10,12H2,1H3,(H,23,27)/p+1