methyl 4-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 4-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: methyl 4-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)piperazino]sulfonylbenzoic acid methyl ester Formula: C20H23N4O4S+ MolecularWeight: 415.48602

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=C[N+]4=CC=CC=C4N3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=C[N+]4=CC=CC=C4N3

InChI

InChI=1S/C20H22N4O4S/c1-28-20(25)16-5-7-18(8-6-16)29(26,27)24-12-10-22(11-13-24)14-17-15-23-9-3-2-4-19(23)21-17/h2-9,15H,10-14H2,1H3/p+1