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

Systemtic Name: 3-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]oxy-N-[(3S)-2-oxidanylideneazepan-3-yl]benzamide Openeye Name: 3-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]oxy-N-[(3S)-2-oxoazepan-3-yl]benzamide CAS Name: 3-[[1-(2,2-dimethylpropyl)-4-piperidin-1-iumyl]oxy]-N-[(3S)-2-oxo-3-azepanyl]benzamide IUPAC Name: 3-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]oxy-N-[(3S)-2-oxoazepan-3-yl]benzamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-3-(1-neopentylpiperidin-1-ium-4-yl)oxy-benzamide Formula: C23H36N3O3+ MolecularWeight: 402.55024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C[NH+]1CCC(CC1)OC2=CC=CC(=C2)C(=O)NC3CCCCNC3=O

Isomeric SMILES

CC(C)(C)C[NH+]1CCC(CC1)OC2=CC=CC(=C2)C(=O)N[C@H]3CCCCNC3=O

InChI

InChI=1S/C23H35N3O3/c1-23(2,3)16-26-13-10-18(11-14-26)29-19-8-6-7-17(15-19)21(27)25-20-9-4-5-12-24-22(20)28/h6-8,15,18,20H,4-5,9-14,16H2,1-3H3,(H,24,28)(H,25,27)/p+1/t20-/m0/s1