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

Systemtic Name: 3-chloranyl-4-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]oxy-N-[(3S)-oxolan-3-yl]benzamide Openeye Name: 3-chloro-4-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]oxy-N-[(3S)-tetrahydrofuran-3-yl]benzamide CAS Name: 3-chloro-4-[[1-(2,2-dimethylpropyl)-4-piperidin-1-iumyl]oxy]-N-[(3S)-3-oxolanyl]benzamide IUPAC Name: 3-chloro-4-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]oxy-N-[(3S)-oxolan-3-yl]benzamide Traditional Name: 3-chloro-4-(1-neopentylpiperidin-1-ium-4-yl)oxy-N-[(3S)-tetrahydrofuran-3-yl]benzamide Formula: C21H32ClN2O3+ MolecularWeight: 395.94338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C[NH+]1CCC(CC1)OC2=C(C=C(C=C2)C(=O)NC3CCOC3)Cl

Isomeric SMILES

CC(C)(C)C[NH+]1CCC(CC1)OC2=C(C=C(C=C2)C(=O)N[C@H]3CCOC3)Cl

InChI

InChI=1S/C21H31ClN2O3/c1-21(2,3)14-24-9-6-17(7-10-24)27-19-5-4-15(12-18(19)22)20(25)23-16-8-11-26-13-16/h4-5,12,16-17H,6-11,13-14H2,1-3H3,(H,23,25)/p+1/t16-/m0/s1