2-[[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-ium-1-yl]methyl]indolizine-1-carbonitrile

Systemtic Name: 2-[[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-ium-1-yl]methyl]indolizine-1-carbonitrile Openeye Name: 2-[[4-(5-morpholinosulfonyl-2-pyridyl)piperazin-1-ium-1-yl]methyl]indolizine-1-carbonitrile CAS Name: 2-[[4-[5-(4-morpholinylsulfonyl)-2-pyridinyl]-1-piperazin-1-iumyl]methyl]-1-indolizinecarbonitrile IUPAC Name: 2-[[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-ium-1-yl]methyl]indolizine-1-carbonitrile Traditional Name: 2-[[4-(5-morpholinosulfonyl-2-pyridyl)piperazin-1-ium-1-yl]methyl]indolizine-1-carbonitrile Formula: C23H27N6O3S+ MolecularWeight: 467.56388

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CN3C=CC=CC3=C2C#N)C4=NC=C(C=C4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CN3C=CC=CC3=C2C#N)C4=NC=C(C=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C23H26N6O3S/c24-15-21-19(18-28-6-2-1-3-22(21)28)17-26-7-9-27(10-8-26)23-5-4-20(16-25-23)33(30,31)29-11-13-32-14-12-29/h1-6,16,18H,7-14,17H2/p+1