(3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)-N-methyl-N-prop-2-ynyl-propan-1-amine hydrochloride

Systemtic Name: (3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)-N-methyl-N-prop-2-ynyl-propan-1-amine hydrochloride Openeye Name: (3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)-N-methyl-N-prop-2-ynyl-propan-1-amine hydrochloride CAS Name: (3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)-N-methyl-N-prop-2-ynyl-1-propanamine hydrochloride IUPAC Name: (3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)-N-methyl-N-prop-2-ynylpropan-1-amine hydrochloride Traditional Name: [(3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-methyl-propargyl-amine hydrochloride Formula: C21H22ClNS MolecularWeight: 355.92408

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC=C1C2=CC=CC=C2CSC3=CC=CC=C31)CC#C.Cl

Isomeric SMILES

CN(CC/C=C/1\C2=CC=CC=C2CSC3=CC=CC=C31)CC#C.Cl

InChI

InChI=1S/C21H21NS.ClH/c1-3-14-22(2)15-8-12-19-18-10-5-4-9-17(18)16-23-21-13-7-6-11-20(19)21;/h1,4-7,9-13H,8,14-16H2,2H3;1H/b19-12+;