ethyl 4-[4-(4-methylpiperidin-1-ium-1-yl)piperidin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(4-methylpiperidin-1-ium-1-yl)piperidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[[4-(4-methylpiperidin-1-ium-1-yl)-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-(4-methyl-1-piperidin-1-iumyl)-1-piperidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-methylpiperidin-1-ium-1-yl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(4-methylpiperidin-1-ium-1-yl)piperidino]sulfonylbenzoic acid ethyl ester Formula: C20H31N2O4S+ MolecularWeight: 395.53614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)[NH+]3CCC(CC3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)[NH+]3CCC(CC3)C

InChI

InChI=1S/C20H30N2O4S/c1-3-26-20(23)17-4-6-19(7-5-17)27(24,25)22-14-10-18(11-15-22)21-12-8-16(2)9-13-21/h4-7,16,18H,3,8-15H2,1-2H3/p+1