1-[2-[4-(4-methylphenyl)piperazin-1-ium-1-yl]ethyl]-3-(phenylmethyl)urea

Systemtic Name: 1-[2-[4-(4-methylphenyl)piperazin-1-ium-1-yl]ethyl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[2-[4-(p-tolyl)piperazin-1-ium-1-yl]ethyl]urea CAS Name: 1-[2-[4-(4-methylphenyl)-1-piperazin-1-iumyl]ethyl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[2-[4-(4-methylphenyl)piperazin-1-ium-1-yl]ethyl]urea Traditional Name: 1-benzyl-3-[2-[4-(p-tolyl)piperazin-1-ium-1-yl]ethyl]urea Formula: C21H29N4O+ MolecularWeight: 353.48116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC[NH+](CC2)CCNC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)N2CC[NH+](CC2)CCNC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H28N4O/c1-18-7-9-20(10-8-18)25-15-13-24(14-16-25)12-11-22-21(26)23-17-19-5-3-2-4-6-19/h2-10H,11-17H2,1H3,(H2,22,23,26)/p+1