N-(4-chlorophenyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine

Systemtic Name: N-(4-chlorophenyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine Openeye Name: N-(4-chlorophenyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine CAS Name: N-(4-chlorophenyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine IUPAC Name: N-(4-chlorophenyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine Traditional Name: (4-chlorophenyl)-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)amine Formula: C12H16ClN2+ MolecularWeight: 223.72184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[NH+]CC1)NC2=CC=C(C=C2)Cl

Isomeric SMILES

C1CCC(=[NH+]CC1)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H15ClN2/c13-10-5-7-11(8-6-10)15-12-4-2-1-3-9-14-12/h5-8H,1-4,9H2,(H,14,15)/p+1