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

Systemtic Name: N-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylmethyl)aniline Openeye Name: N-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylmethyl)aniline CAS Name: N-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylmethyl)aniline IUPAC Name: N-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylmethyl)aniline Traditional Name: phenyl(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylmethyl)amine Formula: C13H19N2+ MolecularWeight: 203.30336

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[NH+]CC1)CNC2=CC=CC=C2

Isomeric SMILES

C1CCC(=[NH+]CC1)CNC2=CC=CC=C2

InChI

InChI=1S/C13H18N2/c1-3-7-12(8-4-1)15-11-13-9-5-2-6-10-14-13/h1,3-4,7-8,15H,2,5-6,9-11H2/p+1