1-[(2R)-2-(azepan-1-ium-1-yl)-3-methyl-butyl]-3-phenyl-urea

Systemtic Name: 1-[(2R)-2-(azepan-1-ium-1-yl)-3-methyl-butyl]-3-phenyl-urea Openeye Name: 1-[(2R)-2-(azepan-1-ium-1-yl)-3-methyl-butyl]-3-phenyl-urea CAS Name: 1-[(2R)-2-(1-azepan-1-iumyl)-3-methylbutyl]-3-phenylurea IUPAC Name: 1-[(2R)-2-(azepan-1-ium-1-yl)-3-methylbutyl]-3-phenylurea Traditional Name: 1-[(2R)-2-(azepan-1-ium-1-yl)-3-methyl-butyl]-3-phenyl-urea Formula: C18H30N3O+ MolecularWeight: 304.4503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(=O)NC1=CC=CC=C1)[NH+]2CCCCCC2

Isomeric SMILES

CC(C)[C@H](CNC(=O)NC1=CC=CC=C1)[NH+]2CCCCCC2

InChI

InChI=1S/C18H29N3O/c1-15(2)17(21-12-8-3-4-9-13-21)14-19-18(22)20-16-10-6-5-7-11-16/h5-7,10-11,15,17H,3-4,8-9,12-14H2,1-2H3,(H2,19,20,22)/p+1/t17-/m0/s1