1-[5-oxidanylidene-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]pentyl]urea

Systemtic Name: 1-[5-oxidanylidene-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]pentyl]urea Openeye Name: [5-(4-benzylpiperazin-4-ium-1-yl)-5-oxo-pentyl]urea CAS Name: [5-oxo-5-[4-(phenylmethyl)-1-piperazin-4-iumyl]pentyl]urea IUPAC Name: [5-(4-benzylpiperazin-4-ium-1-yl)-5-oxopentyl]urea Traditional Name: [5-(4-benzylpiperazin-4-ium-1-yl)-5-keto-pentyl]urea Formula: C17H27N4O2+ MolecularWeight: 319.42188

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCCCNC(=O)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCCCNC(=O)N

InChI

InChI=1S/C17H26N4O2/c18-17(23)19-9-5-4-8-16(22)21-12-10-20(11-13-21)14-15-6-2-1-3-7-15/h1-3,6-7H,4-5,8-14H2,(H3,18,19,23)/p+1