1-methyl-4-[(1-methylpyrazol-4-yl)methyl]-9H-pyrido[3,4-b]indol-2-ium chloride

Systemtic Name: 1-methyl-4-[(1-methylpyrazol-4-yl)methyl]-9H-pyrido[3,4-b]indol-2-ium chloride Openeye Name: 1-methyl-4-[(1-methylpyrazol-4-yl)methyl]-9H-pyrido[3,4-b]indol-2-ium chloride CAS Name: 1-methyl-4-[(1-methyl-4-pyrazolyl)methyl]-9H-pyrido[3,4-b]indol-2-ium chloride IUPAC Name: 1-methyl-4-[(1-methylpyrazol-4-yl)methyl]-9H-pyrido[3,4-b]indol-2-ium chloride Traditional Name: 1-methyl-4-[(1-methylpyrazol-4-yl)methyl]-9H-$b-carbolin-2-ium chloride Formula: C17H17ClN4 MolecularWeight: 312.79668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C=C(C2=C1NC3=CC=CC=C32)CC4=CN(N=C4)C.[Cl-]

Isomeric SMILES

CC1=[NH+]C=C(C2=C1NC3=CC=CC=C32)CC4=CN(N=C4)C.[Cl-]

InChI

InChI=1S/C17H16N4.ClH/c1-11-17-16(14-5-3-4-6-15(14)20-17)13(9-18-11)7-12-8-19-21(2)10-12;/h3-6,8-10,20H,7H2,1-2H3;1H