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

Systemtic Name: [1-[(4-methylphenyl)methyl]piperidin-1-ium-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone Openeye Name: [(3S)-3-methyl-1-piperidyl]-[1-(p-tolylmethyl)piperidin-1-ium-4-yl]methanone CAS Name: [1-[(4-methylphenyl)methyl]-4-piperidin-1-iumyl]-[(3S)-3-methyl-1-piperidinyl]methanone IUPAC Name: [1-[(4-methylphenyl)methyl]piperidin-1-ium-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone Traditional Name: [1-(4-methylbenzyl)piperidin-1-ium-4-yl]-[(3S)-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=C(C=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O/c1-16-5-7-18(8-6-16)15-21-12-9-19(10-13-21)20(23)22-11-3-4-17(2)14-22/h5-8,17,19H,3-4,9-15H2,1-2H3/p+1/t17-/m0/s1