2-chloranyl-7-methyl-3-[[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]quinoline

Systemtic Name: 2-chloranyl-7-methyl-3-[[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]quinoline Openeye Name: 2-chloro-3-[[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]-7-methyl-quinoline CAS Name: 2-chloro-7-methyl-3-[[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazin-1-iumyl]methyl]quinoline IUPAC Name: 2-chloro-7-methyl-3-[[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]quinoline Traditional Name: 2-chloro-3-[[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]-7-methyl-quinoline Formula: C23H29ClN5+ MolecularWeight: 410.96286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)C[NH+]3CCN(CC3)C4=NC(=NC(=C4)C)C(C)C)Cl

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)C[NH+]3CCN(CC3)C4=NC(=NC(=C4)C)C(C)C)Cl

InChI

InChI=1S/C23H28ClN5/c1-15(2)23-25-17(4)12-21(27-23)29-9-7-28(8-10-29)14-19-13-18-6-5-16(3)11-20(18)26-22(19)24/h5-6,11-13,15H,7-10,14H2,1-4H3/p+1