(2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: (2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: (2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: (2R)-2-[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: (2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: (2R)-2-(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)-1-pyrrolidino-propan-1-one Formula: C19H30N3O4S+ MolecularWeight: 396.5242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C)C(=O)N3CCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@H](C)C(=O)N3CCCC3

InChI

InChI=1S/C19H29N3O4S/c1-3-26-17-6-8-18(9-7-17)27(24,25)22-14-12-20(13-15-22)16(2)19(23)21-10-4-5-11-21/h6-9,16H,3-5,10-15H2,1-2H3/p+1/t16-/m1/s1