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

Systemtic Name: 1-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[4-[(4-ethoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-methyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-[4-(4-ethoxybenzyl)piperazin-4-ium-1-yl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C26H28N5O+ MolecularWeight: 426.53342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=CC(=C(C4=NC5=CC=CC=C5N34)C#N)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=CC(=C(C4=NC5=CC=CC=C5N34)C#N)C

InChI

InChI=1S/C26H27N5O/c1-3-32-21-10-8-20(9-11-21)18-29-12-14-30(15-13-29)25-16-19(2)22(17-27)26-28-23-6-4-5-7-24(23)31(25)26/h4-11,16H,3,12-15,18H2,1-2H3/p+1