N-[1-[(6-oxidanyl-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-1-ium-4-yl]benzamide

Systemtic Name: N-[1-[(6-oxidanyl-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-1-ium-4-yl]benzamide Openeye Name: N-[1-[(6-hydroxyindan-5-yl)methyl]piperidin-1-ium-4-yl]benzamide CAS Name: N-[1-[(6-hydroxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-piperidin-1-iumyl]benzamide IUPAC Name: N-[1-[(6-hydroxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-1-ium-4-yl]benzamide Traditional Name: N-[1-[(6-hydroxyindan-5-yl)methyl]piperidin-1-ium-4-yl]benzamide Formula: C22H27N2O2+ MolecularWeight: 351.46198

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC(=C(C=C2C1)O)C[NH+]3CCC(CC3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC2=CC(=C(C=C2C1)O)C[NH+]3CCC(CC3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H26N2O2/c25-21-14-18-8-4-7-17(18)13-19(21)15-24-11-9-20(10-12-24)23-22(26)16-5-2-1-3-6-16/h1-3,5-6,13-14,20,25H,4,7-12,15H2,(H,23,26)/p+1