O-(chloromethyl) 2-(6-prop-2-enyl-5,7-dihydrobenzo[d][2]benzazepin-6-ium-6-yl)ethanethioate

Systemtic Name: O-(chloromethyl) 2-(6-prop-2-enyl-5,7-dihydrobenzo[d][2]benzazepin-6-ium-6-yl)ethanethioate Openeye Name: O-(chloromethyl) 2-(6-allyl-5,7-dihydrobenzo[d][2]benzazepin-6-ium-6-yl)ethanethioate CAS Name: 2-(6-prop-2-enyl-5,7-dihydrobenzo[d][2]benzazepin-6-ium-6-yl)ethanethioic acid O-(chloromethyl) ester IUPAC Name: O-(chloromethyl) 2-(6-prop-2-enyl-5,7-dihydrobenzo[d][2]benzazepin-6-ium-6-yl)ethanethioate Traditional Name: 2-(6-allyl-5,7-dihydrobenzo[d][2]benzazepin-6-ium-6-yl)ethanethioic acid O-(chloromethyl) ester Formula: C20H21ClNOS+ MolecularWeight: 358.90484

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1(CC2=CC=CC=C2C3=CC=CC=C3C1)CC(=S)OCCl

Isomeric SMILES

C=CC[N+]1(CC2=CC=CC=C2C3=CC=CC=C3C1)CC(=S)OCCl

InChI

InChI=1S/C20H21ClNOS/c1-2-11-22(14-20(24)23-15-21)12-16-7-3-5-9-18(16)19-10-6-4-8-17(19)13-22/h2-10H,1,11-15H2/q+1