2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]indolizine-1-carbonitrile

Systemtic Name: 2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]indolizine-1-carbonitrile Openeye Name: 2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]indolizine-1-carbonitrile CAS Name: 2-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1-indolizinecarbonitrile IUPAC Name: 2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]indolizine-1-carbonitrile Traditional Name: 2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]indolizine-1-carbonitrile Formula: C19H21N5+2 MolecularWeight: 319.40354

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CN3C=CC=CC3=C2C#N)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CN3C=CC=CC3=C2C#N)C4=CC=CC=[NH+]4

InChI

InChI=1S/C19H19N5/c20-13-17-16(15-24-8-4-2-5-18(17)24)14-22-9-11-23(12-10-22)19-6-1-3-7-21-19/h1-8,15H,9-12,14H2/p+2