2-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-2-ium

Systemtic Name: 2-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-2-ium Openeye Name: 2-(p-tolylmethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-2-ium CAS Name: 2-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-2-ium IUPAC Name: 2-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-2-ium Traditional Name: 2-(4-methylbenzyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-2-ium Formula: C18H22N+ MolecularWeight: 252.37398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCCC3=CC=CC=C3C2

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCCC3=CC=CC=C3C2

InChI

InChI=1S/C18H21N/c1-15-8-10-16(11-9-15)13-19-12-4-7-17-5-2-3-6-18(17)14-19/h2-3,5-6,8-11H,4,7,12-14H2,1H3/p+1