ethyl 4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: ethyl 4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylbenzoate Openeye Name: ethyl 4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylbenzoate CAS Name: 4-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 4-(4-pyridin-1-ium-2-ylpiperazino)sulfonylbenzoic acid ethyl ester Formula: C18H22N3O4S+ MolecularWeight: 376.44998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C18H21N3O4S/c1-2-25-18(22)15-6-8-16(9-7-15)26(23,24)21-13-11-20(12-14-21)17-5-3-4-10-19-17/h3-10H,2,11-14H2,1H3/p+1