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

Systemtic Name: (3R)-4-[(4-ethoxyphenyl)methyl]-3-[2-oxidanylidene-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-4-[(4-ethoxyphenyl)methyl]-3-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one CAS Name: (3R)-4-[(4-ethoxyphenyl)methyl]-3-[2-oxo-2-[4-(2-pyrazinyl)-1-piperazinyl]ethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-4-[(4-ethoxyphenyl)methyl]-3-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one Traditional Name: (3R)-4-(4-ethoxybenzyl)-3-[2-keto-2-(4-pyrazin-2-ylpiperazino)ethyl]piperazin-4-ium-2-one Formula: C23H31N6O3+ MolecularWeight: 439.53064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N6O3/c1-2-32-19-5-3-18(4-6-19)17-29-10-9-26-23(31)20(29)15-22(30)28-13-11-27(12-14-28)21-16-24-7-8-25-21/h3-8,16,20H,2,9-15,17H2,1H3,(H,26,31)/p+1/t20-/m1/s1