3-methyl-2-[3-(4-methylpiperazin-1-yl)-3-oxidanylidene-propyl]-1-oxidanylidene-5,5a-dihydropyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile

Systemtic Name: 3-methyl-2-[3-(4-methylpiperazin-1-yl)-3-oxidanylidene-propyl]-1-oxidanylidene-5,5a-dihydropyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 3-methyl-2-[3-(4-methylpiperazin-1-yl)-3-oxo-propyl]-1-oxo-5,5a-dihydropyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 3-methyl-2-[3-(4-methyl-1-piperazinyl)-3-oxopropyl]-1-oxo-5,5a-dihydropyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 3-methyl-2-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1-oxo-5,5a-dihydropyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 1-keto-2-[3-keto-3-(4-methylpiperazino)propyl]-3-methyl-5,5a-dihydropyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C21H24N5O2+ MolecularWeight: 378.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)[N+]2=C3C=CC=CC3NC2=C1C#N)CCC(=O)N4CCN(CC4)C

Isomeric SMILES

CC1=C(C(=O)[N+]2=C3C=CC=CC3NC2=C1C#N)CCC(=O)N4CCN(CC4)C

InChI

InChI=1S/C21H23N5O2/c1-14-15(7-8-19(27)25-11-9-24(2)10-12-25)21(28)26-18-6-4-3-5-17(18)23-20(26)16(14)13-22/h3-6,17H,7-12H2,1-2H3/p+1