1-[3-(azepan-1-ium-1-yl)propyl]-3-phenyl-urea

Systemtic Name: 1-[3-(azepan-1-ium-1-yl)propyl]-3-phenyl-urea Openeye Name: 1-[3-(azepan-1-ium-1-yl)propyl]-3-phenyl-urea CAS Name: 1-[3-(1-azepan-1-iumyl)propyl]-3-phenylurea IUPAC Name: 1-[3-(azepan-1-ium-1-yl)propyl]-3-phenylurea Traditional Name: 1-[3-(azepan-1-ium-1-yl)propyl]-3-phenyl-urea Formula: C16H26N3O+ MolecularWeight: 276.39714

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCCNC(=O)NC2=CC=CC=C2

Isomeric SMILES

C1CCC[NH+](CC1)CCCNC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C16H25N3O/c20-16(18-15-9-4-3-5-10-15)17-11-8-14-19-12-6-1-2-7-13-19/h3-5,9-10H,1-2,6-8,11-14H2,(H2,17,18,20)/p+1