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

Systemtic Name: ethyl 4-[(3S)-3-[(3,4-dimethoxyphenyl)amino]piperidin-1-ium-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[(3S)-3-(3,4-dimethoxyanilino)piperidin-1-ium-1-yl]piperidine-1-carboxylate CAS Name: 4-[(3S)-3-(3,4-dimethoxyanilino)-1-piperidin-1-iumyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-3-(3,4-dimethoxyanilino)piperidin-1-ium-1-yl]piperidine-1-carboxylate Traditional Name: 4-[(3S)-3-(3,4-dimethoxyanilino)piperidin-1-ium-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C21H34N3O4+ MolecularWeight: 392.51236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O4/c1-4-28-21(25)23-12-9-18(10-13-23)24-11-5-6-17(15-24)22-16-7-8-19(26-2)20(14-16)27-3/h7-8,14,17-18,22H,4-6,9-13,15H2,1-3H3/p+1/t17-/m0/s1