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

Systemtic Name: 1-(2,3-dimethylphenyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]urea Openeye Name: 1-(2,3-dimethylphenyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]urea CAS Name: 1-(2,3-dimethylphenyl)-3-[2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]ethyl]urea IUPAC Name: 1-(2,3-dimethylphenyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]urea Traditional Name: 1-(2,3-dimethylphenyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]urea Formula: C22H31N4O2+ MolecularWeight: 383.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)NCC[NH+]2CCN(CC2)C3=CC=CC=C3OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)NCC[NH+]2CCN(CC2)C3=CC=CC=C3OC)C

InChI

InChI=1S/C22H30N4O2/c1-17-7-6-8-19(18(17)2)24-22(27)23-11-12-25-13-15-26(16-14-25)20-9-4-5-10-21(20)28-3/h4-10H,11-16H2,1-3H3,(H2,23,24,27)/p+1