3-methyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-propan-2-yl-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 3-methyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-propan-2-yl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-isopropyl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-methyl-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-propan-2-yl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-methyl-2-propan-2-ylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-isopropyl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C27H30N5+ MolecularWeight: 424.5606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1C(C)C)N4CC[NH+](CC4)CC5=CC=CC=C5)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1C(C)C)N4CC[NH+](CC4)CC5=CC=CC=C5)C#N

InChI

InChI=1S/C27H29N5/c1-19(2)25-20(3)22(17-28)26-29-23-11-7-8-12-24(23)32(26)27(25)31-15-13-30(14-16-31)18-21-9-5-4-6-10-21/h4-12,19H,13-16,18H2,1-3H3/p+1