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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C[NH+]2CCNC(=O)C2CC(=O)N3CCN(CC3)C4=NC=CN=C4)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)N3CCN(CC3)C4=NC=CN=C4)OC

InChI

InChI=1S/C23H30N6O3/c1-17-13-18(3-4-20(17)32-2)16-29-8-7-26-23(31)19(29)14-22(30)28-11-9-27(10-12-28)21-15-24-5-6-25-21/h3-6,13,15,19H,7-12,14,16H2,1-2H3,(H,26,31)/p+1/t19-/m1/s1