1-(4-methylphenyl)-3-[2-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]ethyl]urea

Systemtic Name: 1-(4-methylphenyl)-3-[2-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]ethyl]urea Openeye Name: 1-[2-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]ethyl]-3-(p-tolyl)urea CAS Name: 1-(4-methylphenyl)-3-[2-[(2S)-4-methyl-2-phenyl-1-piperazin-4-iumyl]ethyl]urea IUPAC Name: 1-(4-methylphenyl)-3-[2-[(2S)-4-methyl-2-phenylpiperazin-4-ium-1-yl]ethyl]urea Traditional Name: 1-[2-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]ethyl]-3-(p-tolyl)urea Formula: C21H29N4O+ MolecularWeight: 353.48116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NCCN2CC[NH+](CC2C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NCCN2CC[NH+](C[C@@H]2C3=CC=CC=C3)C

InChI

InChI=1S/C21H28N4O/c1-17-8-10-19(11-9-17)23-21(26)22-12-13-25-15-14-24(2)16-20(25)18-6-4-3-5-7-18/h3-11,20H,12-16H2,1-2H3,(H2,22,23,26)/p+1/t20-/m1/s1