N-(4-cyanophenyl)-3-piperazin-4-ium-1-ylsulfonyl-propanamide

Systemtic Name: N-(4-cyanophenyl)-3-piperazin-4-ium-1-ylsulfonyl-propanamide Openeye Name: N-(4-cyanophenyl)-3-piperazin-4-ium-1-ylsulfonyl-propanamide CAS Name: N-(4-cyanophenyl)-3-(1-piperazin-4-iumylsulfonyl)propanamide IUPAC Name: N-(4-cyanophenyl)-3-piperazin-4-ium-1-ylsulfonylpropanamide Traditional Name: N-(4-cyanophenyl)-3-piperazin-4-ium-1-ylsulfonyl-propionamide Formula: C14H19N4O3S+ MolecularWeight: 323.39066

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)S(=O)(=O)CCC(=O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

C1CN(CC[NH2+]1)S(=O)(=O)CCC(=O)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C14H18N4O3S/c15-11-12-1-3-13(4-2-12)17-14(19)5-10-22(20,21)18-8-6-16-7-9-18/h1-4,16H,5-10H2,(H,17,19)/p+1