(3-methylphenyl)-[(2S)-2-(2-pyrrolidin-1-ium-1-ylethyl)piperidin-1-yl]methanone

Systemtic Name: (3-methylphenyl)-[(2S)-2-(2-pyrrolidin-1-ium-1-ylethyl)piperidin-1-yl]methanone Openeye Name: m-tolyl-[(2S)-2-(2-pyrrolidin-1-ium-1-ylethyl)-1-piperidyl]methanone CAS Name: (3-methylphenyl)-[(2S)-2-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperidinyl]methanone IUPAC Name: (3-methylphenyl)-[(2S)-2-(2-pyrrolidin-1-ium-1-ylethyl)piperidin-1-yl]methanone Traditional Name: m-tolyl-[(2S)-2-(2-pyrrolidin-1-ium-1-ylethyl)piperidino]methanone Formula: C19H29N2O+ MolecularWeight: 301.44636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCCCC2CC[NH+]3CCCC3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCCC[C@H]2CC[NH+]3CCCC3

InChI

InChI=1S/C19H28N2O/c1-16-7-6-8-17(15-16)19(22)21-13-3-2-9-18(21)10-14-20-11-4-5-12-20/h6-8,15,18H,2-5,9-14H2,1H3/p+1/t18-/m0/s1