ethyl (3S)-1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-[4-(4-hydroxyphenyl)-1-piperazinyl]-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-[4-(4-hydroxyphenyl)piperazino]-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C20H30N3O4+ MolecularWeight: 376.4699

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)N2CCN(CC2)C3=CC=C(C=C3)O

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)N2CCN(CC2)C3=CC=C(C=C3)O

InChI

InChI=1S/C20H29N3O4/c1-2-27-20(26)16-4-3-9-21(14-16)15-19(25)23-12-10-22(11-13-23)17-5-7-18(24)8-6-17/h5-8,16,24H,2-4,9-15H2,1H3/p+1/t16-/m0/s1