2-[(2R)-1-(1,3-benzothiazol-2-ylmethyl)-5-oxidanylidene-pyrrolidin-2-yl]ethyl-[(4-methoxyphenyl)methyl]azanium

Systemtic Name: 2-[(2R)-1-(1,3-benzothiazol-2-ylmethyl)-5-oxidanylidene-pyrrolidin-2-yl]ethyl-[(4-methoxyphenyl)methyl]azanium Openeye Name: 2-[(2R)-1-(1,3-benzothiazol-2-ylmethyl)-5-oxo-pyrrolidin-2-yl]ethyl-[(4-methoxyphenyl)methyl]ammonium CAS Name: 2-[(2R)-1-(1,3-benzothiazol-2-ylmethyl)-5-oxo-2-pyrrolidinyl]ethyl-[(4-methoxyphenyl)methyl]ammonium IUPAC Name: 2-[(2R)-1-(1,3-benzothiazol-2-ylmethyl)-5-oxopyrrolidin-2-yl]ethyl-[(4-methoxyphenyl)methyl]azanium Traditional Name: 2-[(2R)-1-(1,3-benzothiazol-2-ylmethyl)-5-keto-pyrrolidin-2-yl]ethyl-p-anisyl-ammonium Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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