1-[4-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethanoyl]phenyl]pyrrolidin-2-one

Systemtic Name: 1-[4-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethanoyl]phenyl]pyrrolidin-2-one Openeye Name: 1-[4-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]phenyl]pyrrolidin-2-one CAS Name: 1-[4-[2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]phenyl]-2-pyrrolidinone IUPAC Name: 1-[4-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]phenyl]pyrrolidin-2-one Traditional Name: 1-[4-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]phenyl]-2-pyrrolidone Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)C3=CC=C(C=C3)N4CCCC4=O

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)C3=CC=C(C=C3)N4CCCC4=O

InChI

InChI=1S/C23H27N3O3/c1-29-22-6-3-2-5-20(22)25-15-13-24(14-16-25)17-21(27)18-8-10-19(11-9-18)26-12-4-7-23(26)28/h2-3,5-6,8-11H,4,7,12-17H2,1H3/p+1