1-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile

Systemtic Name: 1-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 1-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 1-[4-[(2,4-dimethylphenyl)methyl]-1-piperazin-4-iumyl]-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 1-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 1-[4-(2,4-dimethylbenzyl)piperazin-4-ium-1-yl]-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C28H33N5+2 MolecularWeight: 439.59512

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=[N+]2C3=CC=CC=C3NC2=C1C#N)N4CC[NH+](CC4)CC5=C(C=C(C=C5)C)C

Isomeric SMILES

CCCC1=CC(=[N+]2C3=CC=CC=C3NC2=C1C#N)N4CC[NH+](CC4)CC5=C(C=C(C=C5)C)C

InChI

InChI=1S/C28H31N5/c1-4-7-22-17-27(33-26-9-6-5-8-25(26)30-28(33)24(22)18-29)32-14-12-31(13-15-32)19-23-11-10-20(2)16-21(23)3/h5-6,8-11,16-17H,4,7,12-15,19H2,1-3H3/p+2