ethyl 6-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylpiperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylpiperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylpiperazin-1-yl]pyridine-3-carboxylate CAS Name: 6-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylpiperazin-1-yl]pyridine-3-carboxylate Traditional Name: 6-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylpiperazino]nicotinic acid ethyl ester Formula: C17H28N5O4S+ MolecularWeight: 398.50032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C17H27N5O4S/c1-3-26-17(23)15-4-5-16(18-14-15)20-8-12-22(13-9-20)27(24,25)21-10-6-19(2)7-11-21/h4-5,14H,3,6-13H2,1-2H3/p+1