3-phenyl-1-prop-2-enyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium iodide

Systemtic Name: 3-phenyl-1-prop-2-enyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium iodide Openeye Name: 1-allyl-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium iodide CAS Name: 3-phenyl-1-prop-2-enyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium iodide IUPAC Name: 3-phenyl-1-prop-2-enyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium iodide Traditional Name: 1-allyl-3-phenyl-6,7,8,9-tetrahydro-5H-imidaz[1,2-a]azepin-1-ium iodide Formula: C17H21IN2 MolecularWeight: 380.26651

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1=C2CCCCCN2C(=C1)C3=CC=CC=C3.[I-]

Isomeric SMILES

C=CC[N+]1=C2CCCCCN2C(=C1)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C17H21N2.HI/c1-2-12-18-14-16(15-9-5-3-6-10-15)19-13-8-4-7-11-17(18)19;/h2-3,5-6,9-10,14H,1,4,7-8,11-13H2;1H/q+1;/p-1