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

Systemtic Name: 2-chloranyl-7,8-dimethyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]quinoline Openeye Name: 2-chloro-7,8-dimethyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]quinoline CAS Name: 2-chloro-7,8-dimethyl-3-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]quinoline IUPAC Name: 2-chloro-7,8-dimethyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]quinoline Traditional Name: 2-chloro-7,8-dimethyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]quinoline Formula: C21H25ClN4+2 MolecularWeight: 368.903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)Cl)C

InChI

InChI=1S/C21H23ClN4/c1-15-6-7-17-13-18(21(22)24-20(17)16(15)2)14-25-9-11-26(12-10-25)19-5-3-4-8-23-19/h3-8,13H,9-12,14H2,1-2H3/p+2