1-(3-methylphenyl)-3-[(1S,2R)-1-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-propan-2-yl]urea

Systemtic Name: 1-(3-methylphenyl)-3-[(1S,2R)-1-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-propan-2-yl]urea Openeye Name: 1-[(1R,2S)-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-ethyl]-3-(m-tolyl)urea CAS Name: 1-(3-methylphenyl)-3-[(1S,2R)-1-(4-methyl-1-piperazin-4-iumyl)-1-phenylpropan-2-yl]urea IUPAC Name: 1-(3-methylphenyl)-3-[(1S,2R)-1-(4-methylpiperazin-4-ium-1-yl)-1-phenylpropan-2-yl]urea Traditional Name: 1-[(1R,2S)-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-ethyl]-3-(m-tolyl)urea Formula: C22H31N4O+ MolecularWeight: 367.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC(C)C(C2=CC=CC=C2)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N[C@H](C)[C@H](C2=CC=CC=C2)N3CC[NH+](CC3)C

InChI

InChI=1S/C22H30N4O/c1-17-8-7-11-20(16-17)24-22(27)23-18(2)21(19-9-5-4-6-10-19)26-14-12-25(3)13-15-26/h4-11,16,18,21H,12-15H2,1-3H3,(H2,23,24,27)/p+1/t18-,21-/m1/s1