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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(1R)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(1R)-2-oxo-1-phenyl-2-(1-pyrrolidinyl)ethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(1R)-2-keto-1-phenyl-2-pyrrolidino-ethyl]-methyl-ammonium Formula: C21H24N3OS+ MolecularWeight: 366.49976

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)C(C3=CC=CC=C3)C(=O)N4CCCC4

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)[C@H](C3=CC=CC=C3)C(=O)N4CCCC4

InChI

InChI=1S/C21H23N3OS/c1-23(15-19-22-17-11-5-6-12-18(17)26-19)20(16-9-3-2-4-10-16)21(25)24-13-7-8-14-24/h2-6,9-12,20H,7-8,13-15H2,1H3/p+1/t20-/m1/s1