methyl (2R)-2-(2-chlorophenyl)-2-(4-piperidin-1-ylsulfonylpiperazin-1-ium-1-yl)ethanoate

Systemtic Name: methyl (2R)-2-(2-chlorophenyl)-2-(4-piperidin-1-ylsulfonylpiperazin-1-ium-1-yl)ethanoate Openeye Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(1-piperidylsulfonyl)piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-(2-chlorophenyl)-2-[4-(1-piperidinylsulfonyl)-1-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl (2R)-2-(2-chlorophenyl)-2-(4-piperidin-1-ylsulfonylpiperazin-1-ium-1-yl)acetate Traditional Name: (2R)-2-(2-chlorophenyl)-2-(4-piperidinosulfonylpiperazin-1-ium-1-yl)acetic acid methyl ester Formula: C18H27ClN3O4S+ MolecularWeight: 416.94268

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1Cl)[NH+]2CCN(CC2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC(=O)[C@@H](C1=CC=CC=C1Cl)[NH+]2CCN(CC2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C18H26ClN3O4S/c1-26-18(23)17(15-7-3-4-8-16(15)19)20-11-13-22(14-12-20)27(24,25)21-9-5-2-6-10-21/h3-4,7-8,17H,2,5-6,9-14H2,1H3/p+1/t17-/m1/s1