ethyl 4-[(3S)-3-[(3,4-dimethylphenyl)amino]piperidin-1-ium-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-3-[(3,4-dimethylphenyl)amino]piperidin-1-ium-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[(3S)-3-(3,4-dimethylanilino)piperidin-1-ium-1-yl]piperidine-1-carboxylate CAS Name: 4-[(3S)-3-(3,4-dimethylanilino)-1-piperidin-1-iumyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-3-(3,4-dimethylanilino)piperidin-1-ium-1-yl]piperidine-1-carboxylate Traditional Name: 4-[(3S)-3-(3,4-dimethylanilino)piperidin-1-ium-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C21H34N3O2+ MolecularWeight: 360.51356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH+]2CCCC(C2)NC3=CC(=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH+]2CCC[C@@H](C2)NC3=CC(=C(C=C3)C)C

InChI

InChI=1S/C21H33N3O2/c1-4-26-21(25)23-12-9-20(10-13-23)24-11-5-6-19(15-24)22-18-8-7-16(2)17(3)14-18/h7-8,14,19-20,22H,4-6,9-13,15H2,1-3H3/p+1/t19-/m0/s1