4,6-dimethyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-1H-indole-2-carboxamide

Systemtic Name: 4,6-dimethyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-1H-indole-2-carboxamide Openeye Name: 4,6-dimethyl-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-1H-indole-2-carboxamide CAS Name: 4,6-dimethyl-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-1H-indole-2-carboxamide IUPAC Name: 4,6-dimethyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-1H-indole-2-carboxamide Traditional Name: 4,6-dimethyl-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-1H-indole-2-carboxamide Formula: C21H26N5O+ MolecularWeight: 364.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(NC2=C1)C(=O)NC3=CN=C(C=C3)N4CC[NH+](CC4)C)C

Isomeric SMILES

CC1=CC(=C2C=C(NC2=C1)C(=O)NC3=CN=C(C=C3)N4CC[NH+](CC4)C)C

InChI

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