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

Systemtic Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-2-(1H-imidazol-2-yl)benzamide Openeye Name: 2-(1H-imidazol-2-yl)-N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]benzamide CAS Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]-2-(1H-imidazol-2-yl)benzamide IUPAC Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-2-(1H-imidazol-2-yl)benzamide Traditional Name: 2-(1H-imidazol-2-yl)-N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]benzamide Formula: C24H27N4O+ MolecularWeight: 387.49738

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CC3=CC=CC=C3C2)NC(=O)C4=CC=CC=C4C5=NC=CN5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CC3=CC=CC=C3C2)NC(=O)C4=CC=CC=C4C5=NC=CN5

InChI

InChI=1S/C24H26N4O/c29-24(22-10-4-3-9-21(22)23-25-11-12-26-23)27-19-8-5-13-28(16-19)20-14-17-6-1-2-7-18(17)15-20/h1-4,6-7,9-12,19-20H,5,8,13-16H2,(H,25,26)(H,27,29)/p+1/t19-/m0/s1