2-(1-methylpiperidin-1-ium-4-yl)-1-[(3S)-3-[(4-propan-2-ylphenyl)amino]piperidin-1-yl]ethanone

Systemtic Name: 2-(1-methylpiperidin-1-ium-4-yl)-1-[(3S)-3-[(4-propan-2-ylphenyl)amino]piperidin-1-yl]ethanone Openeye Name: 1-[(3S)-3-(4-isopropylanilino)-1-piperidyl]-2-(1-methylpiperidin-1-ium-4-yl)ethanone CAS Name: 2-(1-methyl-4-piperidin-1-iumyl)-1-[(3S)-3-(4-propan-2-ylanilino)-1-piperidinyl]ethanone IUPAC Name: 2-(1-methylpiperidin-1-ium-4-yl)-1-[(3S)-3-(4-propan-2-ylanilino)piperidin-1-yl]ethanone Traditional Name: 1-[(3S)-3-cumidinopiperidino]-2-(1-methylpiperidin-1-ium-4-yl)ethanone Formula: C22H36N3O+ MolecularWeight: 358.54074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2CCCN(C2)C(=O)CC3CC[NH+](CC3)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N[C@H]2CCCN(C2)C(=O)CC3CC[NH+](CC3)C

InChI

InChI=1S/C22H35N3O/c1-17(2)19-6-8-20(9-7-19)23-21-5-4-12-25(16-21)22(26)15-18-10-13-24(3)14-11-18/h6-9,17-18,21,23H,4-5,10-16H2,1-3H3/p+1/t21-/m0/s1