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

Systemtic Name: [2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-ethyl-(phenylmethyl)azanium Openeye Name: [2-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethyl]-benzyl-ethyl-ammonium CAS Name: [2-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoethyl]-ethyl-(phenylmethyl)ammonium IUPAC Name: [2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-benzyl-ethylazanium Traditional Name: [2-[4-(1,3-benzothiazol-2-yl)piperidino]-2-keto-ethyl]-benzyl-ethyl-ammonium Formula: C23H28N3OS+ MolecularWeight: 394.55292

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H27N3OS/c1-2-25(16-18-8-4-3-5-9-18)17-22(27)26-14-12-19(13-15-26)23-24-20-10-6-7-11-21(20)28-23/h3-11,19H,2,12-17H2,1H3/p+1