4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)but-2-ynyl-diethyl-azanium

Systemtic Name: 4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)but-2-ynyl-diethyl-azanium Openeye Name: 4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)but-2-ynyl-diethyl-ammonium CAS Name: 4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)but-2-ynyl-diethylammonium IUPAC Name: 4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)but-2-ynyl-diethylazanium Traditional Name: 4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)but-2-ynyl-diethyl-ammonium Formula: C22H27N2+ MolecularWeight: 319.46318

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC#CCN1C2=CC=CC=C2CCC3=CC=CC=C31

Isomeric SMILES

CC[NH+](CC)CC#CCN1C2=CC=CC=C2CCC3=CC=CC=C31

InChI

InChI=1S/C22H26N2/c1-3-23(4-2)17-9-10-18-24-21-13-7-5-11-19(21)15-16-20-12-6-8-14-22(20)24/h5-8,11-14H,3-4,15-18H2,1-2H3/p+1