N-[1-[(3-methylphenyl)methyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-pyrrol-3-yl]thiophene-2-carboxamide

Systemtic Name: N-[1-[(3-methylphenyl)methyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-pyrrol-3-yl]thiophene-2-carboxamide Openeye Name: N-[1-(m-tolylmethyl)-2-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyrrol-3-yl]thiophene-2-carboxamide CAS Name: N-[1-[(3-methylphenyl)methyl]-2-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-3-pyrrolyl]-2-thiophenecarboxamide IUPAC Name: N-[1-[(3-methylphenyl)methyl]-2-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyrrol-3-yl]thiophene-2-carboxamide Traditional Name: N-[1-(3-methylbenzyl)-2-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyrrol-3-yl]thiophene-2-carboxamide Formula: C27H28N5O2S+ MolecularWeight: 486.60852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=CC(=C2C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)NC(=O)C5=CC=CS5

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=CC(=C2C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)NC(=O)C5=CC=CS5

InChI

InChI=1S/C27H27N5O2S/c1-20-6-4-7-21(18-20)19-32-12-10-22(29-26(33)23-8-5-17-35-23)25(32)27(34)31-15-13-30(14-16-31)24-9-2-3-11-28-24/h2-12,17-18H,13-16,19H2,1H3,(H,29,33)/p+1