ethyl 1-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanoyl]piperidine-4-carboxylate CAS Name: 1-[(2S)-2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanoyl]piperidine-4-carboxylate Traditional Name: 1-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanoyl]isonipecotic acid ethyl ester Formula: C22H34N3O4+ MolecularWeight: 404.52306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)[NH+]2CCN(CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)[C@H](C)[NH+]2CCN(CC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H33N3O4/c1-4-29-22(27)18-9-11-25(12-10-18)21(26)17(2)23-13-15-24(16-14-23)19-5-7-20(28-3)8-6-19/h5-8,17-18H,4,9-16H2,1-3H3/p+1/t17-/m0/s1