2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-ium-1-yl]methyl]-8-methoxy-quinoline

Systemtic Name: 2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-ium-1-yl]methyl]-8-methoxy-quinoline Openeye Name: 2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-ium-1-yl]methyl]-8-methoxy-quinoline CAS Name: 2-[[4-(3,6-dimethyl-2-pyrazinyl)-1-piperazin-1-iumyl]methyl]-8-methoxyquinoline IUPAC Name: 2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-ium-1-yl]methyl]-8-methoxyquinoline Traditional Name: 2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-ium-1-yl]methyl]-8-methoxy-quinoline Formula: C21H26N5O+ MolecularWeight: 364.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=N1)N2CC[NH+](CC2)CC3=NC4=C(C=CC=C4OC)C=C3)C

Isomeric SMILES

CC1=CN=C(C(=N1)N2CC[NH+](CC2)CC3=NC4=C(C=CC=C4OC)C=C3)C

InChI

InChI=1S/C21H25N5O/c1-15-13-22-16(2)21(23-15)26-11-9-25(10-12-26)14-18-8-7-17-5-4-6-19(27-3)20(17)24-18/h4-8,13H,9-12,14H2,1-3H3/p+1