ethyl 4-[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]piperidine-1-carboxylate CAS Name: 4-[4-(2,5-dimethylphenyl)-1-piperazin-1-iumyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C20H32N3O2+ MolecularWeight: 346.48698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH+]2CCN(CC2)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH+]2CCN(CC2)C3=C(C=CC(=C3)C)C

InChI

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