4,6-dimethyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyridin-1-ium-3-carboxamide

Systemtic Name: 4,6-dimethyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyridin-1-ium-3-carboxamide Openeye Name: 4,6-dimethyl-2-[4-(2-thienylmethyl)piperazin-1-yl]pyridin-1-ium-3-carboxamide CAS Name: 4,6-dimethyl-2-[4-(thiophen-2-ylmethyl)-1-piperazinyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 4,6-dimethyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyridin-1-ium-3-carboxamide Traditional Name: 4,6-dimethyl-2-[4-(2-thenyl)piperazino]pyridin-1-ium-3-carboxamide Formula: C17H23N4OS+ MolecularWeight: 331.45572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=C1C(=O)N)N2CCN(CC2)CC3=CC=CS3)C

Isomeric SMILES

CC1=CC(=[NH+]C(=C1C(=O)N)N2CCN(CC2)CC3=CC=CS3)C

InChI

InChI=1S/C17H22N4OS/c1-12-10-13(2)19-17(15(12)16(18)22)21-7-5-20(6-8-21)11-14-4-3-9-23-14/h3-4,9-10H,5-8,11H2,1-2H3,(H2,18,22)/p+1