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

Systemtic Name: 1-[(3S)-1-(3,4-dimethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-3-(4-methylpiperazin-4-ium-1-yl)urea Openeye Name: 1-[(3S)-1-(3,4-dimethylphenyl)-5-oxo-pyrrolidin-3-yl]-3-(4-methylpiperazin-4-ium-1-yl)urea CAS Name: 1-[(3S)-1-(3,4-dimethylphenyl)-5-oxo-3-pyrrolidinyl]-3-(4-methyl-1-piperazin-4-iumyl)urea IUPAC Name: 1-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylpiperazin-4-ium-1-yl)urea Traditional Name: 1-[(3S)-1-(3,4-dimethylphenyl)-5-keto-pyrrolidin-3-yl]-3-(4-methylpiperazin-4-ium-1-yl)urea Formula: C18H28N5O2+ MolecularWeight: 346.44722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N5O2/c1-13-4-5-16(10-14(13)2)23-12-15(11-17(23)24)19-18(25)20-22-8-6-21(3)7-9-22/h4-5,10,15H,6-9,11-12H2,1-3H3,(H2,19,20,25)/p+1/t15-/m0/s1