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

Systemtic Name: [(2S)-2-(azepan-1-ium-1-yl)-4-phenyl-butyl]azanium Openeye Name: [(2S)-2-(azepan-1-ium-1-yl)-4-phenyl-butyl]ammonium CAS Name: [(2S)-2-(1-azepan-1-iumyl)-4-phenylbutyl]ammonium IUPAC Name: [(2S)-2-(azepan-1-ium-1-yl)-4-phenylbutyl]azanium Traditional Name: [(2S)-2-(azepan-1-ium-1-yl)-4-phenyl-butyl]ammonium Formula: C16H28N2+2 MolecularWeight: 248.40692

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(CCC2=CC=CC=C2)C[NH3+]

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H](CCC2=CC=CC=C2)C[NH3+]

InChI

InChI=1S/C16H26N2/c17-14-16(18-12-6-1-2-7-13-18)11-10-15-8-4-3-5-9-15/h3-5,8-9,16H,1-2,6-7,10-14,17H2/p+2/t16-/m0/s1