[1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone

Systemtic Name: [1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone Openeye Name: [(3R)-3-methyl-1-piperidyl]-[1-(m-tolylmethyl)piperidin-1-ium-4-yl]methanone CAS Name: [1-[(3-methylphenyl)methyl]-4-piperidin-1-iumyl]-[(3R)-3-methyl-1-piperidinyl]methanone IUPAC Name: [1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone Traditional Name: [1-(3-methylbenzyl)piperidin-1-ium-4-yl]-[(3R)-3-methylpiperidino]methanone Formula: C20H31N2O+ MolecularWeight: 315.47294

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C2CC[NH+](CC2)CC3=CC=CC(=C3)C

Isomeric SMILES

C[C@@H]1CCCN(C1)C(=O)C2CC[NH+](CC2)CC3=CC=CC(=C3)C

InChI

InChI=1S/C20H30N2O/c1-16-5-3-7-18(13-16)15-21-11-8-19(9-12-21)20(23)22-10-4-6-17(2)14-22/h3,5,7,13,17,19H,4,6,8-12,14-15H2,1-2H3/p+1/t17-/m1/s1