1-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]methyl]-3-propan-2-yl-urea

Systemtic Name: 1-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]methyl]-3-propan-2-yl-urea Openeye Name: 1-[[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]methyl]-3-isopropyl-urea CAS Name: 1-[[4-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]methyl]-3-propan-2-ylurea IUPAC Name: 1-[[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]methyl]-3-propan-2-ylurea Traditional Name: 1-[4-(4-benzylpiperazin-4-ium-1-carbonyl)benzyl]-3-isopropyl-urea Formula: C23H31N4O2+ MolecularWeight: 395.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H30N4O2/c1-18(2)25-23(29)24-16-19-8-10-21(11-9-19)22(28)27-14-12-26(13-15-27)17-20-6-4-3-5-7-20/h3-11,18H,12-17H2,1-2H3,(H2,24,25,29)/p+1