2-(4-methoxyphenyl)ethylsulfonyl-[(2S)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]azanide

Systemtic Name: 2-(4-methoxyphenyl)ethylsulfonyl-[(2S)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]azanide Openeye Name: 2-(4-methoxyphenyl)ethylsulfonyl-[(2S)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]azanide CAS Name: 2-(4-methoxyphenyl)ethylsulfonyl-[(2S)-2-(1-methyl-2-pyrrolyl)-2-(1-pyrrolidin-1-iumyl)ethyl]azanide IUPAC Name: 2-(4-methoxyphenyl)ethylsulfonyl-[(2S)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]azanide Traditional Name: 2-(4-methoxyphenyl)ethylsulfonyl-[(2S)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]azanide Formula: C20H29N3O3S MolecularWeight: 391.52756

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(C[N-]S(=O)(=O)CCC2=CC=C(C=C2)OC)[NH+]3CCCC3

Isomeric SMILES

CN1C=CC=C1[C@H](C[N-]S(=O)(=O)CCC2=CC=C(C=C2)OC)[NH+]3CCCC3

InChI

InChI=1S/C20H28N3O3S/c1-22-12-5-6-19(22)20(23-13-3-4-14-23)16-21-27(24,25)15-11-17-7-9-18(26-2)10-8-17/h5-10,12,20H,3-4,11,13-16H2,1-2H3/q-1/p+1/t20-/m0/s1