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

Systemtic Name: (3R)-4-[(2-ethoxyphenyl)methyl]-3-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-4-[(2-ethoxyphenyl)methyl]-3-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]piperazin-4-ium-2-one CAS Name: (3R)-4-[(2-ethoxyphenyl)methyl]-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-4-[(2-ethoxyphenyl)methyl]-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazin-4-ium-2-one Traditional Name: (3R)-4-(2-ethoxybenzyl)-3-[2-keto-2-(4-methylpiperazino)ethyl]piperazin-4-ium-2-one Formula: C20H31N4O3+ MolecularWeight: 375.48514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CCNC(=O)C2CC(=O)N3CCN(CC3)C

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CCNC(=O)[C@H]2CC(=O)N3CCN(CC3)C

InChI

InChI=1S/C20H30N4O3/c1-3-27-18-7-5-4-6-16(18)15-24-9-8-21-20(26)17(24)14-19(25)23-12-10-22(2)11-13-23/h4-7,17H,3,8-15H2,1-2H3,(H,21,26)/p+1/t17-/m1/s1