1-[[4-(4-phenethylpiperazin-4-ium-1-yl)carbonylphenyl]methyl]urea

Systemtic Name: 1-[[4-(4-phenethylpiperazin-4-ium-1-yl)carbonylphenyl]methyl]urea Openeye Name: [4-(4-phenethylpiperazin-4-ium-1-carbonyl)phenyl]methylurea CAS Name: [4-[oxo-(4-phenethyl-1-piperazin-4-iumyl)methyl]phenyl]methylurea IUPAC Name: [4-(4-phenethylpiperazin-4-ium-1-carbonyl)phenyl]methylurea Traditional Name: [4-(4-phenethylpiperazin-4-ium-1-carbonyl)benzyl]urea Formula: C21H27N4O2+ MolecularWeight: 367.46468

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CNC(=O)N

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CNC(=O)N

InChI

InChI=1S/C21H26N4O2/c22-21(27)23-16-18-6-8-19(9-7-18)20(26)25-14-12-24(13-15-25)11-10-17-4-2-1-3-5-17/h1-9H,10-16H2,(H3,22,23,27)/p+1