1-[2-[4-(3-ethoxy-2-methyl-phenyl)piperazin-1-ium-1-yl]ethyl]-3-(4-methylphenyl)urea

Systemtic Name: 1-[2-[4-(3-ethoxy-2-methyl-phenyl)piperazin-1-ium-1-yl]ethyl]-3-(4-methylphenyl)urea Openeye Name: 1-[2-[4-(3-ethoxy-2-methyl-phenyl)piperazin-1-ium-1-yl]ethyl]-3-(p-tolyl)urea CAS Name: 1-[2-[4-(3-ethoxy-2-methylphenyl)-1-piperazin-1-iumyl]ethyl]-3-(4-methylphenyl)urea IUPAC Name: 1-[2-[4-(3-ethoxy-2-methylphenyl)piperazin-1-ium-1-yl]ethyl]-3-(4-methylphenyl)urea Traditional Name: 1-[2-[4-(3-ethoxy-2-methyl-phenyl)piperazin-1-ium-1-yl]ethyl]-3-(p-tolyl)urea Formula: C23H33N4O2+ MolecularWeight: 397.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1C)N2CC[NH+](CC2)CCNC(=O)NC3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=CC=CC(=C1C)N2CC[NH+](CC2)CCNC(=O)NC3=CC=C(C=C3)C

InChI

InChI=1S/C23H32N4O2/c1-4-29-22-7-5-6-21(19(22)3)27-16-14-26(15-17-27)13-12-24-23(28)25-20-10-8-18(2)9-11-20/h5-11H,4,12-17H2,1-3H3,(H2,24,25,28)/p+1