1-(3,4-dichlorophenyl)-3-[(2R,5S)-5-methylpiperazin-4-ium-2-yl]urea

Systemtic Name: 1-(3,4-dichlorophenyl)-3-[(2R,5S)-5-methylpiperazin-4-ium-2-yl]urea Openeye Name: 1-(3,4-dichlorophenyl)-3-[(2R,5S)-5-methylpiperazin-4-ium-2-yl]urea CAS Name: 1-(3,4-dichlorophenyl)-3-[(2R,5S)-5-methyl-2-piperazin-4-iumyl]urea IUPAC Name: 1-(3,4-dichlorophenyl)-3-[(2R,5S)-5-methylpiperazin-4-ium-2-yl]urea Traditional Name: 1-(3,4-dichlorophenyl)-3-[(2R,5S)-5-methylpiperazin-4-ium-2-yl]urea Formula: C12H17Cl2N4O+ MolecularWeight: 304.19558

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNC(C[NH2+]1)NC(=O)NC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

C[C@H]1CN[C@@H](C[NH2+]1)NC(=O)NC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C12H16Cl2N4O/c1-7-5-16-11(6-15-7)18-12(19)17-8-2-3-9(13)10(14)4-8/h2-4,7,11,15-16H,5-6H2,1H3,(H2,17,18,19)/p+1/t7-,11+/m0/s1