chloromethyl 8-(6-prop-2-enyl-5,7-dihydrobenzo[d][2]benzazepin-6-ium-6-yl)octanoate

Systemtic Name: chloromethyl 8-(6-prop-2-enyl-5,7-dihydrobenzo[d][2]benzazepin-6-ium-6-yl)octanoate Openeye Name: chloromethyl 8-(6-allyl-5,7-dihydrobenzo[d][2]benzazepin-6-ium-6-yl)octanoate CAS Name: 8-(6-prop-2-enyl-5,7-dihydrobenzo[d][2]benzazepin-6-ium-6-yl)octanoic acid chloromethyl ester IUPAC Name: chloromethyl 8-(6-prop-2-enyl-5,7-dihydrobenzo[d][2]benzazepin-6-ium-6-yl)octanoate Traditional Name: 8-(6-allyl-5,7-dihydrobenzo[d][2]benzazepin-6-ium-6-yl)caprylic acid chloromethyl ester Formula: C26H33ClNO2+ MolecularWeight: 426.99872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33ClNO2/c1-2-17-28(18-11-5-3-4-6-16-26(29)30-21-27)19-22-12-7-9-14-24(22)25-15-10-8-13-23(25)20-28/h2,7-10,12-15H,1,3-6,11,16-21H2/q+1