2-[4-(2-pyrrolidin-1-ium-1-ylethanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(2-pyrrolidin-1-ium-1-ylethanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(2-pyrrolidin-1-ium-1-ylacetyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[1-oxo-2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(2-pyrrolidin-1-ium-1-ylacetyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(2-pyrrolidin-1-ium-1-ylacetyl)piperazino]sulfonylbenzonitrile Formula: C17H23N4O3S+ MolecularWeight: 363.45452

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CC[NH+](C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C17H22N4O3S/c18-13-15-5-1-2-6-16(15)25(23,24)21-11-9-20(10-12-21)17(22)14-19-7-3-4-8-19/h1-2,5-6H,3-4,7-12,14H2/p+1