O-ethyl N-(5-prop-2-ynyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-5-ium-2-yl)carbamothioate

Systemtic Name: O-ethyl N-(5-prop-2-ynyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-5-ium-2-yl)carbamothioate Openeye Name: O-ethyl N-(5-prop-2-ynyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-5-ium-2-yl)carbamothioate CAS Name: N-(5-prop-2-ynyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-5-ium-2-yl)carbamothioic acid O-ethyl ester IUPAC Name: O-ethyl N-(5-prop-2-ynyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-5-ium-2-yl)carbamothioate Traditional Name: N-(5-propargyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-5-ium-2-yl)thiocarbamic acid O-ethyl ester Formula: C20H23N2OS+ MolecularWeight: 339.47442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)NC1=CC2=CC3=C(CCCCC3)[N+](=C2C=C1)CC#C

Isomeric SMILES

CCOC(=S)NC1=CC2=CC3=C(CCCCC3)[N+](=C2C=C1)CC#C

InChI

InChI=1S/C20H22N2OS/c1-3-12-22-18-9-7-5-6-8-15(18)13-16-14-17(10-11-19(16)22)21-20(24)23-4-2/h1,10-11,13-14H,4-9,12H2,2H3/p+1