[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-yl]-(3-propan-2-yloxyphenyl)methanone

Systemtic Name: [(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-yl]-(3-propan-2-yloxyphenyl)methanone Openeye Name: [(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-yl]-(3-isopropoxyphenyl)methanone CAS Name: [(3S)-1-(1H-imidazol-2-ylmethyl)-3-piperidin-1-iumyl]-(3-propan-2-yloxyphenyl)methanone IUPAC Name: [(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-yl]-(3-propan-2-yloxyphenyl)methanone Traditional Name: [(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-yl]-(3-isopropoxyphenyl)methanone Formula: C19H26N3O2+ MolecularWeight: 328.42864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)C2CCC[NH+](C2)CC3=NC=CN3

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=NC=CN3

InChI

InChI=1S/C19H25N3O2/c1-14(2)24-17-7-3-5-15(11-17)19(23)16-6-4-10-22(12-16)13-18-20-8-9-21-18/h3,5,7-9,11,14,16H,4,6,10,12-13H2,1-2H3,(H,20,21)/p+1/t16-/m0/s1