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

Systemtic Name: [2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-[(4-methoxyphenyl)methyl]-methyl-azanium Openeye Name: [2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethyl]-[(4-methoxyphenyl)methyl]-methyl-ammonium CAS Name: [2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylammonium IUPAC Name: [2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium Traditional Name: [2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidino]-2-keto-ethyl]-methyl-p-anisyl-ammonium Formula: C23H28N3O2S+ MolecularWeight: 410.55232

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)OC)CC(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)OC)CC(=O)N2CCC[C@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H27N3O2S/c1-25(14-17-9-11-19(28-2)12-10-17)16-22(27)26-13-5-6-18(15-26)23-24-20-7-3-4-8-21(20)29-23/h3-4,7-12,18H,5-6,13-16H2,1-2H3/p+1/t18-/m1/s1