1-[(2R)-4-[4-(3-methylphenyl)piperazin-1-ium-1-yl]butan-2-yl]-3-(phenylmethyl)urea

Systemtic Name: 1-[(2R)-4-[4-(3-methylphenyl)piperazin-1-ium-1-yl]butan-2-yl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[(1R)-1-methyl-3-[4-(m-tolyl)piperazin-1-ium-1-yl]propyl]urea CAS Name: 1-[(2R)-4-[4-(3-methylphenyl)-1-piperazin-1-iumyl]butan-2-yl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[(2R)-4-[4-(3-methylphenyl)piperazin-1-ium-1-yl]butan-2-yl]urea Traditional Name: 1-benzyl-3-[(1R)-1-methyl-3-[4-(m-tolyl)piperazin-1-ium-1-yl]propyl]urea Formula: C23H33N4O+ MolecularWeight: 381.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCC(C)NC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CC[C@@H](C)NC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H32N4O/c1-19-7-6-10-22(17-19)27-15-13-26(14-16-27)12-11-20(2)25-23(28)24-18-21-8-4-3-5-9-21/h3-10,17,20H,11-16,18H2,1-2H3,(H2,24,25,28)/p+1/t20-/m1/s1