3-methyl-1-[(3S)-3-methylpiperazin-4-ium-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 3-methyl-1-[(3S)-3-methylpiperazin-4-ium-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 3-methyl-1-[(3S)-3-methylpiperazin-4-ium-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-methyl-1-[(3S)-3-methyl-1-piperazin-4-iumyl]-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 3-methyl-1-[(3S)-3-methylpiperazin-4-ium-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 3-methyl-1-[(3S)-3-methylpiperazin-4-ium-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C18H20N5+ MolecularWeight: 306.3849

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC[NH2+]1)C2=CC(=C(C3=NC4=CC=CC=C4N23)C#N)C

Isomeric SMILES

C[C@H]1CN(CC[NH2+]1)C2=CC(=C(C3=NC4=CC=CC=C4N23)C#N)C

InChI

InChI=1S/C18H19N5/c1-12-9-17(22-8-7-20-13(2)11-22)23-16-6-4-3-5-15(16)21-18(23)14(12)10-19/h3-6,9,13,20H,7-8,11H2,1-2H3/p+1/t13-/m0/s1