4-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]sulfonylaniline

Systemtic Name: 4-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]sulfonylaniline Openeye Name: 4-[4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-yl]sulfonylaniline CAS Name: 4-[[4-(2-pyridin-4-ylethyl)-1-piperazin-4-iumyl]sulfonyl]aniline IUPAC Name: 4-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]sulfonylaniline Traditional Name: [4-[4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-yl]sulfonylphenyl]amine Formula: C17H23N4O2S+ MolecularWeight: 347.45512

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=NC=C2)S(=O)(=O)C3=CC=C(C=C3)N

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=NC=C2)S(=O)(=O)C3=CC=C(C=C3)N

InChI

InChI=1S/C17H22N4O2S/c18-16-1-3-17(4-2-16)24(22,23)21-13-11-20(12-14-21)10-7-15-5-8-19-9-6-15/h1-6,8-9H,7,10-14,18H2/p+1