[(3S)-3-(azepan-1-ium-1-yl)-3-(4-chlorophenyl)propyl]azanium

Systemtic Name: [(3S)-3-(azepan-1-ium-1-yl)-3-(4-chlorophenyl)propyl]azanium Openeye Name: [(3S)-3-(azepan-1-ium-1-yl)-3-(4-chlorophenyl)propyl]ammonium CAS Name: [(3S)-3-(1-azepan-1-iumyl)-3-(4-chlorophenyl)propyl]ammonium IUPAC Name: [(3S)-3-(azepan-1-ium-1-yl)-3-(4-chlorophenyl)propyl]azanium Traditional Name: [(3S)-3-(azepan-1-ium-1-yl)-3-(4-chlorophenyl)propyl]ammonium Formula: C15H25ClN2+2 MolecularWeight: 268.8254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23ClN2/c16-14-7-5-13(6-8-14)15(9-10-17)18-11-3-1-2-4-12-18/h5-8,15H,1-4,9-12,17H2/p+2/t15-/m0/s1