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

Systemtic Name: 1-[(3S)-1-(4-methylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-3-(4-methylpiperazin-4-ium-1-yl)urea Openeye Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-[(3S)-5-oxo-1-(p-tolyl)pyrrolidin-3-yl]urea CAS Name: 1-[(3S)-1-(4-methylphenyl)-5-oxo-3-pyrrolidinyl]-3-(4-methyl-1-piperazin-4-iumyl)urea IUPAC Name: 1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylpiperazin-4-ium-1-yl)urea Traditional Name: 1-[(3S)-5-keto-1-(p-tolyl)pyrrolidin-3-yl]-3-(4-methylpiperazin-4-ium-1-yl)urea Formula: C17H26N5O2+ MolecularWeight: 332.42064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC(CC2=O)NC(=O)NN3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C[C@H](CC2=O)NC(=O)NN3CC[NH+](CC3)C

InChI

InChI=1S/C17H25N5O2/c1-13-3-5-15(6-4-13)22-12-14(11-16(22)23)18-17(24)19-21-9-7-20(2)8-10-21/h3-6,14H,7-12H2,1-2H3,(H2,18,19,24)/p+1/t14-/m0/s1