1-[2-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-oxidanylidene-ethyl]pyrrolidin-2-one

Systemtic Name: 1-[2-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-oxidanylidene-ethyl]pyrrolidin-2-one Openeye Name: 1-[2-[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]-1-piperidyl]-2-oxo-ethyl]pyrrolidin-2-one CAS Name: 1-[2-[(3S)-3-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-2-oxoethyl]-2-pyrrolidinone IUPAC Name: 1-[2-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one Traditional Name: 1-[2-keto-2-[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]piperidino]ethyl]-2-pyrrolidone Formula: C22H33N4O2+ MolecularWeight: 385.52302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)C(=O)CN4CCCC4=O

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)C(=O)CN4CCCC4=O

InChI

InChI=1S/C22H32N4O2/c1-18-6-2-3-8-20(18)24-14-12-23(13-15-24)19-7-4-10-25(16-19)22(28)17-26-11-5-9-21(26)27/h2-3,6,8,19H,4-5,7,9-17H2,1H3/p+1/t19-/m0/s1