1-[3-oxidanylidene-3-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]propyl]-3-phenyl-urea

Systemtic Name: 1-[3-oxidanylidene-3-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]propyl]-3-phenyl-urea Openeye Name: 1-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]propyl]-3-phenyl-urea CAS Name: 1-[3-oxo-3-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]propyl]-3-phenylurea IUPAC Name: 1-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]propyl]-3-phenylurea Traditional Name: 1-[3-keto-3-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]propyl]-3-phenyl-urea Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)CCNC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)CCNC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O3/c27-21(11-12-23-22(28)24-19-7-3-1-4-8-19)26-15-13-25(14-16-26)17-18-29-20-9-5-2-6-10-20/h1-10H,11-18H2,(H2,23,24,28)/p+1