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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCOC1=CC=CC=C1)CC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C[NH+](CCOC1=CC=CC=C1)CC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H27N3O2S/c1-25(15-16-28-19-7-3-2-4-8-19)17-22(27)26-13-11-18(12-14-26)23-24-20-9-5-6-10-21(20)29-23/h2-10,18H,11-17H2,1H3/p+1