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

Systemtic Name: (3-methylphenyl)-[(2S)-2-(2-piperidin-1-ium-1-ylethyl)piperidin-1-yl]methanone Openeye Name: m-tolyl-[(2S)-2-(2-piperidin-1-ium-1-ylethyl)-1-piperidyl]methanone CAS Name: (3-methylphenyl)-[(2S)-2-[2-(1-piperidin-1-iumyl)ethyl]-1-piperidinyl]methanone IUPAC Name: (3-methylphenyl)-[(2S)-2-(2-piperidin-1-ium-1-ylethyl)piperidin-1-yl]methanone Traditional Name: m-tolyl-[(2S)-2-(2-piperidin-1-ium-1-ylethyl)piperidino]methanone Formula: C20H31N2O+ MolecularWeight: 315.47294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCCCC2CC[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCCC[C@H]2CC[NH+]3CCCCC3

InChI

InChI=1S/C20H30N2O/c1-17-8-7-9-18(16-17)20(23)22-14-6-3-10-19(22)11-15-21-12-4-2-5-13-21/h7-9,16,19H,2-6,10-15H2,1H3/p+1/t19-/m0/s1