(3R)-4-[(4-ethoxyphenyl)methyl]-3-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one

Systemtic Name: (3R)-4-[(4-ethoxyphenyl)methyl]-3-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-4-[(4-ethoxyphenyl)methyl]-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one CAS Name: (3R)-4-[(4-ethoxyphenyl)methyl]-3-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-4-[(4-ethoxyphenyl)methyl]-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one Traditional Name: (3R)-4-(4-ethoxybenzyl)-3-[2-keto-2-(4-phenylpiperazino)ethyl]piperazin-4-ium-2-one Formula: C25H33N4O3+ MolecularWeight: 437.55452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCNC(=O)C2CC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H32N4O3/c1-2-32-22-10-8-20(9-11-22)19-29-13-12-26-25(31)23(29)18-24(30)28-16-14-27(15-17-28)21-6-4-3-5-7-21/h3-11,23H,2,12-19H2,1H3,(H,26,31)/p+1/t23-/m1/s1