2-[(2R)-1-(1,3-benzothiazol-2-ylmethyl)-5-oxidanylidene-pyrrolidin-2-yl]ethyl-[(3-methoxyphenyl)methyl]azanium

Systemtic Name: 2-[(2R)-1-(1,3-benzothiazol-2-ylmethyl)-5-oxidanylidene-pyrrolidin-2-yl]ethyl-[(3-methoxyphenyl)methyl]azanium Openeye Name: 2-[(2R)-1-(1,3-benzothiazol-2-ylmethyl)-5-oxo-pyrrolidin-2-yl]ethyl-[(3-methoxyphenyl)methyl]ammonium CAS Name: 2-[(2R)-1-(1,3-benzothiazol-2-ylmethyl)-5-oxo-2-pyrrolidinyl]ethyl-[(3-methoxyphenyl)methyl]ammonium IUPAC Name: 2-[(2R)-1-(1,3-benzothiazol-2-ylmethyl)-5-oxopyrrolidin-2-yl]ethyl-[(3-methoxyphenyl)methyl]azanium Traditional Name: 2-[(2R)-1-(1,3-benzothiazol-2-ylmethyl)-5-keto-pyrrolidin-2-yl]ethyl-m-anisyl-ammonium Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH2+]CCC2CCC(=O)N2CC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=CC(=C1)C[NH2+]CC[C@H]2CCC(=O)N2CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H25N3O2S/c1-27-18-6-4-5-16(13-18)14-23-12-11-17-9-10-22(26)25(17)15-21-24-19-7-2-3-8-20(19)28-21/h2-8,13,17,23H,9-12,14-15H2,1H3/p+1/t17-/m1/s1