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

Systemtic Name: 1-[(3S)-3-[(3,4-dimethylphenyl)amino]piperidin-1-yl]-2-(1-methylpiperidin-1-ium-4-yl)ethanone Openeye Name: 1-[(3S)-3-(3,4-dimethylanilino)-1-piperidyl]-2-(1-methylpiperidin-1-ium-4-yl)ethanone CAS Name: 1-[(3S)-3-(3,4-dimethylanilino)-1-piperidinyl]-2-(1-methyl-4-piperidin-1-iumyl)ethanone IUPAC Name: 1-[(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-2-(1-methylpiperidin-1-ium-4-yl)ethanone Traditional Name: 1-[(3S)-3-(3,4-dimethylanilino)piperidino]-2-(1-methylpiperidin-1-ium-4-yl)ethanone Formula: C21H34N3O+ MolecularWeight: 344.51416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2CCCN(C2)C(=O)CC3CC[NH+](CC3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N[C@H]2CCCN(C2)C(=O)CC3CC[NH+](CC3)C)C

InChI

InChI=1S/C21H33N3O/c1-16-6-7-19(13-17(16)2)22-20-5-4-10-24(15-20)21(25)14-18-8-11-23(3)12-9-18/h6-7,13,18,20,22H,4-5,8-12,14-15H2,1-3H3/p+1/t20-/m0/s1