(1-ethylpiperidin-1-ium-4-yl)-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone

Systemtic Name: (1-ethylpiperidin-1-ium-4-yl)-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone Openeye Name: (1-ethylpiperidin-1-ium-4-yl)-[(3S)-3-[2-(o-tolyl)ethyl]-1-piperidyl]methanone CAS Name: (1-ethyl-4-piperidin-1-iumyl)-[(3S)-3-[2-(2-methylphenyl)ethyl]-1-piperidinyl]methanone IUPAC Name: (1-ethylpiperidin-1-ium-4-yl)-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone Traditional Name: (1-ethylpiperidin-1-ium-4-yl)-[(3S)-3-[2-(o-tolyl)ethyl]piperidino]methanone Formula: C22H35N2O+ MolecularWeight: 343.5261

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)C(=O)N2CCCC(C2)CCC3=CC=CC=C3C

Isomeric SMILES

CC[NH+]1CCC(CC1)C(=O)N2CCC[C@@H](C2)CCC3=CC=CC=C3C

InChI

InChI=1S/C22H34N2O/c1-3-23-15-12-21(13-16-23)22(25)24-14-6-8-19(17-24)10-11-20-9-5-4-7-18(20)2/h4-5,7,9,19,21H,3,6,8,10-17H2,1-2H3/p+1/t19-/m1/s1