4-(2-methoxyethoxy)-3-methyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]benzenesulfonamide

Systemtic Name: 4-(2-methoxyethoxy)-3-methyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]benzenesulfonamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-(2-methoxyethoxy)-3-methyl-benzenesulfonamide CAS Name: 4-(2-methoxyethoxy)-3-methyl-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]benzenesulfonamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-(2-methoxyethoxy)-3-methyl-benzenesulfonamide Formula: C21H29N2O4S+ MolecularWeight: 405.53096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NC2CC[NH+](C2)CC3=CC=CC=C3)OCCOC

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N[C@H]2CC[NH+](C2)CC3=CC=CC=C3)OCCOC

InChI

InChI=1S/C21H28N2O4S/c1-17-14-20(8-9-21(17)27-13-12-26-2)28(24,25)22-19-10-11-23(16-19)15-18-6-4-3-5-7-18/h3-9,14,19,22H,10-13,15-16H2,1-2H3/p+1/t19-/m0/s1