4-phenyl-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]butanamide

Systemtic Name: 4-phenyl-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]butanamide Openeye Name: 4-phenyl-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]butanamide CAS Name: 4-phenyl-N-[2-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]ethyl]butanamide IUPAC Name: 4-phenyl-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]butanamide Traditional Name: 4-phenyl-N-[2-(4-pyridin-1-ium-2-ylpiperazino)sulfonylethyl]butyramide Formula: C21H29N4O3S+ MolecularWeight: 417.54496

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)CCNC(=O)CCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)CCNC(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C21H28N4O3S/c26-21(11-6-9-19-7-2-1-3-8-19)23-13-18-29(27,28)25-16-14-24(15-17-25)20-10-4-5-12-22-20/h1-5,7-8,10,12H,6,9,11,13-18H2,(H,23,26)/p+1