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

Systemtic Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-[(3S)-5-oxidanylidene-1-phenyl-pyrrolidin-3-yl]urea Openeye Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-[(3S)-5-oxo-1-phenyl-pyrrolidin-3-yl]urea CAS Name: 1-(4-methyl-1-piperazin-4-iumyl)-3-[(3S)-5-oxo-1-phenyl-3-pyrrolidinyl]urea IUPAC Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea Traditional Name: 1-[(3S)-5-keto-1-phenyl-pyrrolidin-3-yl]-3-(4-methylpiperazin-4-ium-1-yl)urea Formula: C16H24N5O2+ MolecularWeight: 318.39406

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)NC2CC(=O)N(C2)C3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)N[C@H]2CC(=O)N(C2)C3=CC=CC=C3

InChI

InChI=1S/C16H23N5O2/c1-19-7-9-20(10-8-19)18-16(23)17-13-11-15(22)21(12-13)14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H2,17,18,23)/p+1/t13-/m0/s1