3-(1,3-benzothiazol-2-yl)-N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]propanamide

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]propanamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]propanamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]propanamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]propanamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]propionamide Formula: C24H28N3OS+ MolecularWeight: 406.56362

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CC3=CC=CC=C3C2)NC(=O)CCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CC3=CC=CC=C3C2)NC(=O)CCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H27N3OS/c28-23(11-12-24-26-21-9-3-4-10-22(21)29-24)25-19-8-5-13-27(16-19)20-14-17-6-1-2-7-18(17)15-20/h1-4,6-7,9-10,19-20H,5,8,11-16H2,(H,25,28)/p+1/t19-/m0/s1