1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanone

Systemtic Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanone Openeye Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(m-tolylmethyl)piperazine-1,4-diium-1-yl]ethanone CAS Name: 1-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-[4-[(3-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]ethanone IUPAC Name: 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanone Traditional Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(3-methylbenzyl)piperazine-1,4-diium-1-yl]ethanone Formula: C23H33N3O+2 MolecularWeight: 367.52762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC(=O)C3=C(N(C(=C3)C)C4CC4)C

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC(=O)C3=C(N(C(=C3)C)C4CC4)C

InChI

InChI=1S/C23H31N3O/c1-17-5-4-6-20(13-17)15-24-9-11-25(12-10-24)16-23(27)22-14-18(2)26(19(22)3)21-7-8-21/h4-6,13-14,21H,7-12,15-16H2,1-3H3/p+2