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

Systemtic Name: N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-2-(1-methylpyrrol-3-yl)ethanamide Openeye Name: N-cyclopentyl-2-(1-methylpyrrol-3-yl)-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]acetamide CAS Name: N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]-4-piperidin-1-iumyl]methyl]-2-(1-methyl-3-pyrrolyl)acetamide IUPAC Name: N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-2-(1-methylpyrrol-3-yl)acetamide Traditional Name: N-cyclopentyl-2-(1-methylpyrrol-3-yl)-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]acetamide Formula: C27H40N3O+ MolecularWeight: 422.626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC[NH+]2CCC(CC2)CN(C3CCCC3)C(=O)CC4=CN(C=C4)C

Isomeric SMILES

CC1=CC=CC=C1CC[NH+]2CCC(CC2)CN(C3CCCC3)C(=O)CC4=CN(C=C4)C

InChI

InChI=1S/C27H39N3O/c1-22-7-3-4-8-25(22)14-18-29-16-12-23(13-17-29)21-30(26-9-5-6-10-26)27(31)19-24-11-15-28(2)20-24/h3-4,7-8,11,15,20,23,26H,5-6,9-10,12-14,16-19,21H2,1-2H3/p+1