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

Systemtic Name: (4-methylphenyl)-[(2S)-2-(2-piperidin-1-ium-1-ylethyl)piperidin-1-yl]methanone Openeye Name: [(2S)-2-(2-piperidin-1-ium-1-ylethyl)-1-piperidyl]-(p-tolyl)methanone CAS Name: (4-methylphenyl)-[(2S)-2-[2-(1-piperidin-1-iumyl)ethyl]-1-piperidinyl]methanone IUPAC Name: (4-methylphenyl)-[(2S)-2-(2-piperidin-1-ium-1-ylethyl)piperidin-1-yl]methanone Traditional Name: [(2S)-2-(2-piperidin-1-ium-1-ylethyl)piperidino]-(p-tolyl)methanone Formula: C20H31N2O+ MolecularWeight: 315.47294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O/c1-17-8-10-18(11-9-17)20(23)22-15-6-3-7-19(22)12-16-21-13-4-2-5-14-21/h8-11,19H,2-7,12-16H2,1H3/p+1/t19-/m0/s1