bromomethyl 2-(6-prop-2-enyl-5,7-dihydrobenzo[d][2]benzazepin-6-ium-6-yl)ethanoate

Systemtic Name: bromomethyl 2-(6-prop-2-enyl-5,7-dihydrobenzo[d][2]benzazepin-6-ium-6-yl)ethanoate Openeye Name: bromomethyl 2-(6-allyl-5,7-dihydrobenzo[d][2]benzazepin-6-ium-6-yl)acetate CAS Name: 2-(6-prop-2-enyl-5,7-dihydrobenzo[d][2]benzazepin-6-ium-6-yl)acetic acid bromomethyl ester IUPAC Name: bromomethyl 2-(6-prop-2-enyl-5,7-dihydrobenzo[d][2]benzazepin-6-ium-6-yl)acetate Traditional Name: 2-(6-allyl-5,7-dihydrobenzo[d][2]benzazepin-6-ium-6-yl)acetic acid bromomethyl ester Formula: C20H21BrNO2+ MolecularWeight: 387.29024

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1(CC2=CC=CC=C2C3=CC=CC=C3C1)CC(=O)OCBr

Isomeric SMILES

C=CC[N+]1(CC2=CC=CC=C2C3=CC=CC=C3C1)CC(=O)OCBr

InChI

InChI=1S/C20H21BrNO2/c1-2-11-22(14-20(23)24-15-21)12-16-7-3-5-9-18(16)19-10-6-4-8-17(19)13-22/h2-10H,1,11-15H2/q+1