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

Systemtic Name: (2S)-N-cyclopentyl-1-ethanoyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-acetyl-N-cyclopentyl-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-acetyl-N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]-4-piperidin-1-iumyl]methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-acetyl-N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-acetyl-N-cyclopentyl-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]pyrrolidine-2-carboxamide Formula: C27H42N3O2+ MolecularWeight: 440.64128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC[NH+]2CCC(CC2)CN(C3CCCC3)C(=O)C4CCCN4C(=O)C

Isomeric SMILES

CC1=CC=CC=C1CC[NH+]2CCC(CC2)CN(C3CCCC3)C(=O)[C@@H]4CCCN4C(=O)C

InChI

InChI=1S/C27H41N3O2/c1-21-8-3-4-9-24(21)15-19-28-17-13-23(14-18-28)20-30(25-10-5-6-11-25)27(32)26-12-7-16-29(26)22(2)31/h3-4,8-9,23,25-26H,5-7,10-20H2,1-2H3/p+1/t26-/m0/s1