N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-3-pyrazol-1-yl-propanamide

Systemtic Name: N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-3-pyrazol-1-yl-propanamide Openeye Name: N-cyclopentyl-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]-3-pyrazol-1-yl-propanamide CAS Name: N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]-4-piperidin-1-iumyl]methyl]-3-(1-pyrazolyl)propanamide IUPAC Name: N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-3-pyrazol-1-ylpropanamide Traditional Name: N-cyclopentyl-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]-3-pyrazol-1-yl-propionamide Formula: C26H39N4O+ MolecularWeight: 423.61406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC[NH+]2CCC(CC2)CN(C3CCCC3)C(=O)CCN4C=CC=N4

Isomeric SMILES

CC1=CC=CC=C1CC[NH+]2CCC(CC2)CN(C3CCCC3)C(=O)CCN4C=CC=N4

InChI

InChI=1S/C26H38N4O/c1-22-7-2-3-8-24(22)13-19-28-17-11-23(12-18-28)21-30(25-9-4-5-10-25)26(31)14-20-29-16-6-15-27-29/h2-3,6-8,15-16,23,25H,4-5,9-14,17-21H2,1H3/p+1