N-[(3S)-2-oxidanylideneazepan-3-yl]-4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxy-benzamide

Systemtic Name: N-[(3S)-2-oxidanylideneazepan-3-yl]-4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxy-benzamide Openeye Name: N-[(3S)-2-oxoazepan-3-yl]-4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxy-benzamide CAS Name: N-[(3S)-2-oxo-3-azepanyl]-4-[[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]oxy]benzamide IUPAC Name: N-[(3S)-2-oxoazepan-3-yl]-4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxybenzamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxy-benzamide Formula: C24H31N4O3+ MolecularWeight: 423.52794

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CC=CC=N4

Isomeric SMILES

C1CCNC(=O)[C@H](C1)NC(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CC=CC=N4

InChI

InChI=1S/C24H30N4O3/c29-23(27-22-6-2-4-14-26-24(22)30)18-7-9-20(10-8-18)31-21-11-15-28(16-12-21)17-19-5-1-3-13-25-19/h1,3,5,7-10,13,21-22H,2,4,6,11-12,14-17H2,(H,26,30)(H,27,29)/p+1/t22-/m0/s1