1-[(3S)-3-[(3,4-dimethylphenyl)amino]piperidin-1-yl]-3-morpholin-4-ium-4-yl-propan-1-one

Systemtic Name: 1-[(3S)-3-[(3,4-dimethylphenyl)amino]piperidin-1-yl]-3-morpholin-4-ium-4-yl-propan-1-one Openeye Name: 1-[(3S)-3-(3,4-dimethylanilino)-1-piperidyl]-3-morpholin-4-ium-4-yl-propan-1-one CAS Name: 1-[(3S)-3-(3,4-dimethylanilino)-1-piperidinyl]-3-(4-morpholin-4-iumyl)-1-propanone IUPAC Name: 1-[(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-3-morpholin-4-ium-4-ylpropan-1-one Traditional Name: 1-[(3S)-3-(3,4-dimethylanilino)piperidino]-3-morpholin-4-ium-4-yl-propan-1-one Formula: C20H32N3O2+ MolecularWeight: 346.48698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2CCCN(C2)C(=O)CC[NH+]3CCOCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)N[C@H]2CCCN(C2)C(=O)CC[NH+]3CCOCC3)C

InChI

InChI=1S/C20H31N3O2/c1-16-5-6-18(14-17(16)2)21-19-4-3-8-23(15-19)20(24)7-9-22-10-12-25-13-11-22/h5-6,14,19,21H,3-4,7-13,15H2,1-2H3/p+1/t19-/m0/s1