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

Systemtic Name: 1-(4-methoxyphenyl)-3-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]urea Openeye Name: 1-(4-methoxyphenyl)-3-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]urea CAS Name: 1-(4-methoxyphenyl)-3-[2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]ethyl]urea IUPAC Name: 1-(4-methoxyphenyl)-3-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]urea Traditional Name: 1-(4-methoxyphenyl)-3-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]urea Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCNC(=O)NC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCNC(=O)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H28N4O2/c1-17-4-3-5-19(16-17)25-14-12-24(13-15-25)11-10-22-21(26)23-18-6-8-20(27-2)9-7-18/h3-9,16H,10-15H2,1-2H3,(H2,22,23,26)/p+1