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

Systemtic Name: 1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-3-methyl-2-(phenylmethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-benzyl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[4-(1-adamantyl)-1-piperazin-4-iumyl]-3-methyl-2-(phenylmethyl)-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-benzyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-benzyl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C34H38N5+ MolecularWeight: 516.69902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CC4=CC=CC=C4)N5CC[NH+](CC5)C67CC8CC(C6)CC(C8)C7)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CC4=CC=CC=C4)N5CC[NH+](CC5)C67CC8CC(C6)CC(C8)C7)C#N

InChI

InChI=1S/C34H37N5/c1-23-28(18-24-7-3-2-4-8-24)33(39-31-10-6-5-9-30(31)36-32(39)29(23)22-35)37-11-13-38(14-12-37)34-19-25-15-26(20-34)17-27(16-25)21-34/h2-10,25-27H,11-21H2,1H3/p+1