dimethyl-[3-[2-(3-methylphenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]propyl]azanium

Systemtic Name: dimethyl-[3-[2-(3-methylphenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]propyl]azanium Openeye Name: dimethyl-[3-[2-(m-tolyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-1-yl]propyl]ammonium CAS Name: dimethyl-[3-[2-(3-methylphenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]propyl]ammonium IUPAC Name: dimethyl-[3-[2-(3-methylphenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]propyl]azanium Traditional Name: dimethyl-[3-[2-(m-tolyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-1-yl]propyl]ammonium Formula: C20H28N3S+ MolecularWeight: 342.52142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=S)C3=C(N2CCC[NH+](C)C)CCCC3

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=S)C3=C(N2CCC[NH+](C)C)CCCC3

InChI

InChI=1S/C20H27N3S/c1-15-8-6-9-16(14-15)19-21-20(24)17-10-4-5-11-18(17)23(19)13-7-12-22(2)3/h6,8-9,14H,4-5,7,10-13H2,1-3H3/p+1