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

Systemtic Name: 1-[[4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]carbonylphenyl]methyl]-3-propan-2-yl-urea Openeye Name: 1-isopropyl-3-[[4-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]phenyl]methyl]urea CAS Name: 1-[[4-[oxo-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]methyl]phenyl]methyl]-3-propan-2-ylurea IUPAC Name: 1-[[4-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea Traditional Name: 1-isopropyl-3-[4-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]benzyl]urea Formula: C24H33N4O3+ MolecularWeight: 425.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CCOC3=CC=CC=C3

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C24H32N4O3/c1-19(2)26-24(30)25-18-20-8-10-21(11-9-20)23(29)28-14-12-27(13-15-28)16-17-31-22-6-4-3-5-7-22/h3-11,19H,12-18H2,1-2H3,(H2,25,26,30)/p+1