(3R)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-propan-2-yl-piperazin-4-ium-2-one

Systemtic Name: (3R)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-propan-2-yl-piperazin-4-ium-2-one Openeye Name: (3R)-4-isopropyl-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]piperazin-4-ium-2-one CAS Name: (3R)-3-[2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]-4-propan-2-yl-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4-propan-2-ylpiperazin-4-ium-2-one Traditional Name: (3R)-4-isopropyl-3-[2-keto-2-[4-(2-methoxyphenyl)piperazino]ethyl]piperazin-4-ium-2-one Formula: C20H31N4O3+ MolecularWeight: 375.48514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCNC(=O)C1CC(=O)N2CCN(CC2)C3=CC=CC=C3OC

Isomeric SMILES

CC(C)[NH+]1CCNC(=O)[C@H]1CC(=O)N2CCN(CC2)C3=CC=CC=C3OC

InChI

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