1-[3-[4-(2-chloranyl-5-methoxy-phenyl)piperazin-1-ium-1-yl]propyl]-3-(4-methylphenyl)urea

Systemtic Name: 1-[3-[4-(2-chloranyl-5-methoxy-phenyl)piperazin-1-ium-1-yl]propyl]-3-(4-methylphenyl)urea Openeye Name: 1-[3-[4-(2-chloro-5-methoxy-phenyl)piperazin-1-ium-1-yl]propyl]-3-(p-tolyl)urea CAS Name: 1-[3-[4-(2-chloro-5-methoxyphenyl)-1-piperazin-1-iumyl]propyl]-3-(4-methylphenyl)urea IUPAC Name: 1-[3-[4-(2-chloro-5-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-3-(4-methylphenyl)urea Traditional Name: 1-[3-[4-(2-chloro-5-methoxy-phenyl)piperazin-1-ium-1-yl]propyl]-3-(p-tolyl)urea Formula: C22H30ClN4O2+ MolecularWeight: 417.9522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NCCC[NH+]2CCN(CC2)C3=C(C=CC(=C3)OC)Cl

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NCCC[NH+]2CCN(CC2)C3=C(C=CC(=C3)OC)Cl

InChI

InChI=1S/C22H29ClN4O2/c1-17-4-6-18(7-5-17)25-22(28)24-10-3-11-26-12-14-27(15-13-26)21-16-19(29-2)8-9-20(21)23/h4-9,16H,3,10-15H2,1-2H3,(H2,24,25,28)/p+1