N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]pyrazine-2-carboxamide

Systemtic Name: N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]pyrazine-2-carboxamide Openeye Name: N-cyclopentyl-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]pyrazine-2-carboxamide CAS Name: N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]-4-piperidin-1-iumyl]methyl]-2-pyrazinecarboxamide IUPAC Name: N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]pyrazine-2-carboxamide Traditional Name: N-cyclopentyl-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]pyrazinamide Formula: C25H35N4O+ MolecularWeight: 407.5716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC[NH+]2CCC(CC2)CN(C3CCCC3)C(=O)C4=NC=CN=C4

Isomeric SMILES

CC1=CC=CC=C1CC[NH+]2CCC(CC2)CN(C3CCCC3)C(=O)C4=NC=CN=C4

InChI

InChI=1S/C25H34N4O/c1-20-6-2-3-7-22(20)12-17-28-15-10-21(11-16-28)19-29(23-8-4-5-9-23)25(30)24-18-26-13-14-27-24/h2-3,6-7,13-14,18,21,23H,4-5,8-12,15-17,19H2,1H3/p+1