2-chloranyl-7-methylsulfanyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]quinoline

Systemtic Name: 2-chloranyl-7-methylsulfanyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]quinoline Openeye Name: 2-chloro-7-methylsulfanyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]quinoline CAS Name: 2-chloro-7-(methylthio)-3-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]quinoline IUPAC Name: 2-chloro-7-methylsulfanyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]quinoline Traditional Name: 2-chloro-7-(methylthio)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]quinoline Formula: C20H23ClN4S+2 MolecularWeight: 386.94142

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)Cl

InChI

InChI=1S/C20H21ClN4S/c1-26-17-6-5-15-12-16(20(21)23-18(15)13-17)14-24-8-10-25(11-9-24)19-4-2-3-7-22-19/h2-7,12-13H,8-11,14H2,1H3/p+2