N-[(3-chlorophenyl)methyl]-2-(4-methylpiperazin-4-ium-1-yl)-6-thiophen-2-yl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-2-(4-methylpiperazin-4-ium-1-yl)-6-thiophen-2-yl-pyridin-1-ium-3-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-2-(4-methylpiperazin-4-ium-1-yl)-6-(2-thienyl)pyridin-1-ium-3-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-2-(4-methyl-1-piperazin-4-iumyl)-6-thiophen-2-yl-3-pyridin-1-iumcarboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-2-(4-methylpiperazin-4-ium-1-yl)-6-thiophen-2-ylpyridin-1-ium-3-carboxamide Traditional Name: N-(3-chlorobenzyl)-2-(4-methylpiperazin-4-ium-1-yl)-6-(2-thienyl)pyridin-1-ium-3-carboxamide Formula: C22H25ClN4OS+2 MolecularWeight: 428.9781

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=CC(=[NH+]2)C3=CC=CS3)C(=O)NCC4=CC(=CC=C4)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=CC(=[NH+]2)C3=CC=CS3)C(=O)NCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H23ClN4OS/c1-26-9-11-27(12-10-26)21-18(7-8-19(25-21)20-6-3-13-29-20)22(28)24-15-16-4-2-5-17(23)14-16/h2-8,13-14H,9-12,15H2,1H3,(H,24,28)/p+2