[2-(4-methylphenyl)quinolin-4-yl]-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [2-(4-methylphenyl)quinolin-4-yl]-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [2-(p-tolyl)-4-quinolyl]-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone CAS Name: [2-(4-methylphenyl)-4-quinolinyl]-[4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazin-4-iumyl]methanone IUPAC Name: [2-(4-methylphenyl)quinolin-4-yl]-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [2-(p-tolyl)-4-quinolyl]-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone Formula: C27H34N4O+2 MolecularWeight: 430.58506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CC[NH+](CC4)CC[NH+]5CCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CC[NH+](CC4)CC[NH+]5CCCC5

InChI

InChI=1S/C27H32N4O/c1-21-8-10-22(11-9-21)26-20-24(23-6-2-3-7-25(23)28-26)27(32)31-18-16-30(17-19-31)15-14-29-12-4-5-13-29/h2-3,6-11,20H,4-5,12-19H2,1H3/p+2