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

Systemtic Name: [2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-ethyl-(thiophen-2-ylmethyl)azanium Openeye Name: [2-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethyl]-ethyl-(2-thienylmethyl)ammonium CAS Name: [2-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium Traditional Name: [2-[4-(1,3-benzothiazol-2-yl)piperidino]-2-keto-ethyl]-ethyl-(2-thenyl)ammonium Formula: C21H26N3OS2+ MolecularWeight: 400.58064

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CS1)CC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC[NH+](CC1=CC=CS1)CC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H25N3OS2/c1-2-23(14-17-6-5-13-26-17)15-20(25)24-11-9-16(10-12-24)21-22-18-7-3-4-8-19(18)27-21/h3-8,13,16H,2,9-12,14-15H2,1H3/p+1