2-chloranyl-7,8-dimethyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinoline

Systemtic Name: 2-chloranyl-7,8-dimethyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinoline Openeye Name: 2-chloro-7,8-dimethyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinoline CAS Name: 2-chloro-7,8-dimethyl-3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]quinoline IUPAC Name: 2-chloro-7,8-dimethyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinoline Traditional Name: 2-chloro-7,8-dimethyl-3-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]quinoline Formula: C20H23ClN5+ MolecularWeight: 368.88312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)C[NH+]3CCN(CC3)C4=NC=CC=N4)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)C[NH+]3CCN(CC3)C4=NC=CC=N4)Cl)C

InChI

InChI=1S/C20H22ClN5/c1-14-4-5-16-12-17(19(21)24-18(16)15(14)2)13-25-8-10-26(11-9-25)20-22-6-3-7-23-20/h3-7,12H,8-11,13H2,1-2H3/p+1