1-[3-[4-[(2-chlorophenyl)methyl]piperazin-1-ium-1-yl]propyl]-3-phenyl-urea

Systemtic Name: 1-[3-[4-[(2-chlorophenyl)methyl]piperazin-1-ium-1-yl]propyl]-3-phenyl-urea Openeye Name: 1-[3-[4-[(2-chlorophenyl)methyl]piperazin-1-ium-1-yl]propyl]-3-phenyl-urea CAS Name: 1-[3-[4-[(2-chlorophenyl)methyl]-1-piperazin-1-iumyl]propyl]-3-phenylurea IUPAC Name: 1-[3-[4-[(2-chlorophenyl)methyl]piperazin-1-ium-1-yl]propyl]-3-phenylurea Traditional Name: 1-[3-[4-(2-chlorobenzyl)piperazin-1-ium-1-yl]propyl]-3-phenyl-urea Formula: C21H28ClN4O+ MolecularWeight: 387.92622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCNC(=O)NC2=CC=CC=C2)CC3=CC=CC=C3Cl

Isomeric SMILES

C1CN(CC[NH+]1CCCNC(=O)NC2=CC=CC=C2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C21H27ClN4O/c22-20-10-5-4-7-18(20)17-26-15-13-25(14-16-26)12-6-11-23-21(27)24-19-8-2-1-3-9-19/h1-5,7-10H,6,11-17H2,(H2,23,24,27)/p+1