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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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