1-[(3S)-1-(4-methylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]urea

Systemtic Name: 1-[(3S)-1-(4-methylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]urea Openeye Name: 1-[(3S)-5-oxo-1-(p-tolyl)pyrrolidin-3-yl]-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]urea CAS Name: 1-[(3S)-1-(4-methylphenyl)-5-oxo-3-pyrrolidinyl]-3-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]urea IUPAC Name: 1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]urea Traditional Name: 1-[(3S)-5-keto-1-(p-tolyl)pyrrolidin-3-yl]-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]urea Formula: C24H32N5O2+ MolecularWeight: 422.54318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC(CC2=O)NC(=O)NCC[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C[C@H](CC2=O)NC(=O)NCC[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H31N5O2/c1-19-7-9-22(10-8-19)29-18-20(17-23(29)30)26-24(31)25-11-12-27-13-15-28(16-14-27)21-5-3-2-4-6-21/h2-10,20H,11-18H2,1H3,(H2,25,26,31)/p+1/t20-/m0/s1