[(3S)-1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-1-ium-3-yl]-(3-propan-2-yloxyphenyl)methanone

Systemtic Name: [(3S)-1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-1-ium-3-yl]-(3-propan-2-yloxyphenyl)methanone Openeye Name: [(3S)-1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-1-ium-3-yl]-(3-isopropoxyphenyl)methanone CAS Name: [(3S)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-3-piperidin-1-iumyl]-(3-propan-2-yloxyphenyl)methanone IUPAC Name: [(3S)-1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-1-ium-3-yl]-(3-propan-2-yloxyphenyl)methanone Traditional Name: [(3S)-1-(benzofurazan-4-ylmethyl)piperidin-1-ium-3-yl]-(3-isopropoxyphenyl)methanone Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)C2CCC[NH+](C2)CC3=CC=CC4=NON=C43

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=CC=CC4=NON=C43

InChI

InChI=1S/C22H25N3O3/c1-15(2)27-19-9-3-6-16(12-19)22(26)18-8-5-11-25(14-18)13-17-7-4-10-20-21(17)24-28-23-20/h3-4,6-7,9-10,12,15,18H,5,8,11,13-14H2,1-2H3/p+1/t18-/m0/s1