[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: [2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [2,5-dimethyl-1-(o-tolyl)pyrrol-3-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [2,5-dimethyl-1-(2-methylphenyl)-3-pyrrolyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [2,5-dimethyl-1-(o-tolyl)pyrrol-3-yl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C23H27N4O+ MolecularWeight: 375.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=CC(=C2C)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=CC(=C2C)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C

InChI

InChI=1S/C23H26N4O/c1-17-8-4-5-9-21(17)27-18(2)16-20(19(27)3)23(28)26-14-12-25(13-15-26)22-10-6-7-11-24-22/h4-11,16H,12-15H2,1-3H3/p+1