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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(=O)N2CCN(CC2)C3=CC=C(C=C3)O

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC(=O)N2CCN(CC2)C3=CC=C(C=C3)O

InChI

InChI=1S/C20H29N3O4/c1-2-27-20(26)16-7-9-21(10-8-16)15-19(25)23-13-11-22(12-14-23)17-3-5-18(24)6-4-17/h3-6,16,24H,2,7-15H2,1H3/p+1