1-[6-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-6-oxidanylidene-hexyl]urea

Systemtic Name: 1-[6-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-6-oxidanylidene-hexyl]urea Openeye Name: [6-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-6-oxo-hexyl]urea CAS Name: [6-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-6-oxohexyl]urea IUPAC Name: [6-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-6-oxohexyl]urea Traditional Name: [6-keto-6-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]hexyl]urea Formula: C22H31N4O2+ MolecularWeight: 383.50714

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)CCCCCNC(=O)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)CCCCCNC(=O)N

InChI

InChI=1S/C22H30N4O2/c23-22(28)24-12-5-1-2-11-21(27)26-15-13-25(14-16-26)17-19-9-6-8-18-7-3-4-10-20(18)19/h3-4,6-10H,1-2,5,11-17H2,(H3,23,24,28)/p+1