[(Z,2S)-2-(azepan-1-yl)-4-phenyl-but-3-enyl]azanium

Systemtic Name: [(Z,2S)-2-(azepan-1-yl)-4-phenyl-but-3-enyl]azanium Openeye Name: [(Z,2S)-2-(azepan-1-yl)-4-phenyl-but-3-enyl]ammonium CAS Name: [(Z,2S)-2-(1-azepanyl)-4-phenylbut-3-enyl]ammonium IUPAC Name: [(Z,2S)-2-(azepan-1-yl)-4-phenylbut-3-enyl]azanium Traditional Name: [(Z,2S)-2-(azepan-1-yl)-4-phenyl-but-3-enyl]ammonium Formula: C16H25N2+ MolecularWeight: 245.3831

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(C[NH3+])C=CC2=CC=CC=C2

Isomeric SMILES

C1CCCN(CC1)[C@H](C[NH3+])/C=C\C2=CC=CC=C2

InChI

InChI=1S/C16H24N2/c17-14-16(18-12-6-1-2-7-13-18)11-10-15-8-4-3-5-9-15/h3-5,8-11,16H,1-2,6-7,12-14,17H2/p+1/b11-10-/t16-/m0/s1