1-[4-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]urea

Systemtic Name: 1-[4-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]urea Openeye Name: [4-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]urea CAS Name: [4-[[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]urea IUPAC Name: [4-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]urea Traditional Name: [4-[4-(2,5-dimethoxybenzyl)piperazin-4-ium-1-carbonyl]phenyl]urea Formula: C21H27N4O4+ MolecularWeight: 399.46348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)NC(=O)N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)NC(=O)N

InChI

InChI=1S/C21H26N4O4/c1-28-18-7-8-19(29-2)16(13-18)14-24-9-11-25(12-10-24)20(26)15-3-5-17(6-4-15)23-21(22)27/h3-8,13H,9-12,14H2,1-2H3,(H3,22,23,27)/p+1