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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)NCC[NH+]2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1NC(=O)NCC[NH+]2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H28N4O2/c1-27-20-10-6-5-9-19(20)23-21(26)22-11-12-24-13-15-25(16-14-24)17-18-7-3-2-4-8-18/h2-10H,11-17H2,1H3,(H2,22,23,26)/p+1