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

Systemtic Name: N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-3-pyridin-4-yl-propanamide Openeye Name: N-cyclopentyl-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]-3-(4-pyridyl)propanamide CAS Name: N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]-4-piperidin-1-iumyl]methyl]-3-pyridin-4-ylpropanamide IUPAC Name: N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-3-pyridin-4-ylpropanamide Traditional Name: N-cyclopentyl-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]-3-(4-pyridyl)propionamide Formula: C28H40N3O+ MolecularWeight: 434.6367

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC[NH+]2CCC(CC2)CN(C3CCCC3)C(=O)CCC4=CC=NC=C4

Isomeric SMILES

CC1=CC=CC=C1CC[NH+]2CCC(CC2)CN(C3CCCC3)C(=O)CCC4=CC=NC=C4

InChI

InChI=1S/C28H39N3O/c1-23-6-2-3-7-26(23)16-21-30-19-14-25(15-20-30)22-31(27-8-4-5-9-27)28(32)11-10-24-12-17-29-18-13-24/h2-3,6-7,12-13,17-18,25,27H,4-5,8-11,14-16,19-22H2,1H3/p+1