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

Systemtic Name: N-(3,4-dimethylphenyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine Openeye Name: N-(3,4-dimethylphenyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine CAS Name: N-(3,4-dimethylphenyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine IUPAC Name: N-(3,4-dimethylphenyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine Traditional Name: (3,4-dimethylphenyl)-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)amine Formula: C14H21N2+ MolecularWeight: 217.32994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=[NH+]CCCCC2)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=[NH+]CCCCC2)C

InChI

InChI=1S/C14H20N2/c1-11-7-8-13(10-12(11)2)16-14-6-4-3-5-9-15-14/h7-8,10H,3-6,9H2,1-2H3,(H,15,16)/p+1