N-phenyl-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine

Systemtic Name: N-phenyl-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine Openeye Name: N-phenyl-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine CAS Name: N-phenyl-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine IUPAC Name: N-phenyl-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine Traditional Name: phenyl(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)amine Formula: C12H17N2+ MolecularWeight: 189.27678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2/c1-3-7-11(8-4-1)14-12-9-5-2-6-10-13-12/h1,3-4,7-8H,2,5-6,9-10H2,(H,13,14)/p+1