[(2R)-2-(azepan-1-ium-1-yl)-2-methyl-4-phenyl-butyl]azanium

Systemtic Name: [(2R)-2-(azepan-1-ium-1-yl)-2-methyl-4-phenyl-butyl]azanium Openeye Name: [(2R)-2-(azepan-1-ium-1-yl)-2-methyl-4-phenyl-butyl]ammonium CAS Name: [(2R)-2-(1-azepan-1-iumyl)-2-methyl-4-phenylbutyl]ammonium IUPAC Name: [(2R)-2-(azepan-1-ium-1-yl)-2-methyl-4-phenylbutyl]azanium Traditional Name: [(2R)-2-(azepan-1-ium-1-yl)-2-methyl-4-phenyl-butyl]ammonium Formula: C17H30N2+2 MolecularWeight: 262.4335

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)(C[NH3+])[NH+]2CCCCCC2

Isomeric SMILES

C[C@@](CCC1=CC=CC=C1)(C[NH3+])[NH+]2CCCCCC2

InChI

InChI=1S/C17H28N2/c1-17(15-18,19-13-7-2-3-8-14-19)12-11-16-9-5-4-6-10-16/h4-6,9-10H,2-3,7-8,11-15,18H2,1H3/p+2/t17-/m1/s1