1-methyl-3-(2-methyl-1-prop-2-ynyl-quinolin-1-ium-6-yl)-1-phenyl-thiourea perchlorate

Systemtic Name: 1-methyl-3-(2-methyl-1-prop-2-ynyl-quinolin-1-ium-6-yl)-1-phenyl-thiourea perchlorate Openeye Name: 1-methyl-3-(2-methyl-1-prop-2-ynyl-quinolin-1-ium-6-yl)-1-phenyl-thiourea perchlorate CAS Name: 1-methyl-3-(2-methyl-1-prop-2-ynyl-6-quinolin-1-iumyl)-1-phenylthiourea perchlorate IUPAC Name: 1-methyl-3-(2-methyl-1-prop-2-ynylquinolin-1-ium-6-yl)-1-phenylthiourea perchlorate Traditional Name: 1-methyl-3-(2-methyl-1-propargyl-quinolin-1-ium-6-yl)-1-phenyl-thiourea perchlorate Formula: C21H20ClN3O4S MolecularWeight: 445.9192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(C=C1)C=C(C=C2)NC(=S)N(C)C3=CC=CC=C3)CC#C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=[N+](C2=C(C=C1)C=C(C=C2)NC(=S)N(C)C3=CC=CC=C3)CC#C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C21H19N3S.ClHO4/c1-4-14-24-16(2)10-11-17-15-18(12-13-20(17)24)22-21(25)23(3)19-8-6-5-7-9-19;2-1(3,4)5/h1,5-13,15H,14H2,2-3H3;(H,2,3,4,5)