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

Systemtic Name: 3-[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]oxy-N-[(3S)-2-oxidanylideneazepan-3-yl]benzamide Openeye Name: 3-[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]oxy-N-[(3S)-2-oxoazepan-3-yl]benzamide CAS Name: 3-[[1-(1-methyl-4-piperidin-1-iumyl)-4-piperidin-1-iumyl]oxy]-N-[(3S)-2-oxo-3-azepanyl]benzamide IUPAC Name: 3-[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]oxy-N-[(3S)-2-oxoazepan-3-yl]benzamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-3-[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]oxy-benzamide Formula: C24H38N4O3+2 MolecularWeight: 430.58352

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CCC(CC2)OC3=CC=CC(=C3)C(=O)NC4CCCCNC4=O

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2CCC(CC2)OC3=CC=CC(=C3)C(=O)N[C@H]4CCCCNC4=O

InChI

InChI=1S/C24H36N4O3/c1-27-13-8-19(9-14-27)28-15-10-20(11-16-28)31-21-6-4-5-18(17-21)23(29)26-22-7-2-3-12-25-24(22)30/h4-6,17,19-20,22H,2-3,7-16H2,1H3,(H,25,30)(H,26,29)/p+2/t22-/m0/s1