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

Systemtic Name: [(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(1-propan-2-ylpiperidin-1-ium-4-yl)methanone Openeye Name: (1-isopropylpiperidin-1-ium-4-yl)-[(3S)-3-[2-(o-tolyl)ethyl]-1-piperidyl]methanone CAS Name: [(3S)-3-[2-(2-methylphenyl)ethyl]-1-piperidinyl]-(1-propan-2-yl-4-piperidin-1-iumyl)methanone IUPAC Name: [(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(1-propan-2-ylpiperidin-1-ium-4-yl)methanone Traditional Name: (1-isopropylpiperidin-1-ium-4-yl)-[(3S)-3-[2-(o-tolyl)ethyl]piperidino]methanone Formula: C23H37N2O+ MolecularWeight: 357.55268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCC2CCCN(C2)C(=O)C3CC[NH+](CC3)C(C)C

Isomeric SMILES

CC1=CC=CC=C1CC[C@H]2CCCN(C2)C(=O)C3CC[NH+](CC3)C(C)C

InChI

InChI=1S/C23H36N2O/c1-18(2)24-15-12-22(13-16-24)23(26)25-14-6-8-20(17-25)10-11-21-9-5-4-7-19(21)3/h4-5,7,9,18,20,22H,6,8,10-17H2,1-3H3/p+1/t20-/m1/s1