1-(3-chloranyl-4-methyl-phenyl)-3-[(2R)-3-methyl-2-(4-methylpiperazin-4-ium-1-yl)butyl]urea

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-[(2R)-3-methyl-2-(4-methylpiperazin-4-ium-1-yl)butyl]urea Openeye Name: 1-(3-chloro-4-methyl-phenyl)-3-[(2R)-3-methyl-2-(4-methylpiperazin-4-ium-1-yl)butyl]urea CAS Name: 1-(3-chloro-4-methylphenyl)-3-[(2R)-3-methyl-2-(4-methyl-1-piperazin-4-iumyl)butyl]urea IUPAC Name: 1-(3-chloro-4-methylphenyl)-3-[(2R)-3-methyl-2-(4-methylpiperazin-4-ium-1-yl)butyl]urea Traditional Name: 1-(3-chloro-4-methyl-phenyl)-3-[(2R)-3-methyl-2-(4-methylpiperazin-4-ium-1-yl)butyl]urea Formula: C18H30ClN4O+ MolecularWeight: 353.91

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NCC(C(C)C)N2CC[NH+](CC2)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC[C@@H](C(C)C)N2CC[NH+](CC2)C)Cl

InChI

InChI=1S/C18H29ClN4O/c1-13(2)17(23-9-7-22(4)8-10-23)12-20-18(24)21-15-6-5-14(3)16(19)11-15/h5-6,11,13,17H,7-10,12H2,1-4H3,(H2,20,21,24)/p+1/t17-/m0/s1