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

Systemtic Name: 1-[4-[(3S)-3-[(3,4-dimethylphenyl)amino]piperidin-1-ium-1-yl]piperidin-1-yl]ethanone Openeye Name: 1-[4-[(3S)-3-(3,4-dimethylanilino)piperidin-1-ium-1-yl]-1-piperidyl]ethanone CAS Name: 1-[4-[(3S)-3-(3,4-dimethylanilino)-1-piperidin-1-iumyl]-1-piperidinyl]ethanone IUPAC Name: 1-[4-[(3S)-3-(3,4-dimethylanilino)piperidin-1-ium-1-yl]piperidin-1-yl]ethanone Traditional Name: 1-[4-[(3S)-3-(3,4-dimethylanilino)piperidin-1-ium-1-yl]piperidino]ethanone Formula: C20H32N3O+ MolecularWeight: 330.48758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2CCC[NH+](C2)C3CCN(CC3)C(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N[C@H]2CCC[NH+](C2)C3CCN(CC3)C(=O)C)C

InChI

InChI=1S/C20H31N3O/c1-15-6-7-18(13-16(15)2)21-19-5-4-10-23(14-19)20-8-11-22(12-9-20)17(3)24/h6-7,13,19-21H,4-5,8-12,14H2,1-3H3/p+1/t19-/m0/s1