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

Systemtic Name: [(3S)-1-(oxan-4-yl)piperidin-1-ium-3-yl]-(3-propan-2-yloxyphenyl)methanone Openeye Name: (3-isopropoxyphenyl)-[(3S)-1-tetrahydropyran-4-ylpiperidin-1-ium-3-yl]methanone CAS Name: [(3S)-1-(4-oxanyl)-3-piperidin-1-iumyl]-(3-propan-2-yloxyphenyl)methanone IUPAC Name: [(3S)-1-(oxan-4-yl)piperidin-1-ium-3-yl]-(3-propan-2-yloxyphenyl)methanone Traditional Name: (3-isopropoxyphenyl)-[(3S)-1-tetrahydropyran-4-ylpiperidin-1-ium-3-yl]methanone Formula: C20H30NO3+ MolecularWeight: 332.4571

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)C2CCC[NH+](C2)C3CCOCC3

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)[C@H]2CCC[NH+](C2)C3CCOCC3

InChI

InChI=1S/C20H29NO3/c1-15(2)24-19-7-3-5-16(13-19)20(22)17-6-4-10-21(14-17)18-8-11-23-12-9-18/h3,5,7,13,15,17-18H,4,6,8-12,14H2,1-2H3/p+1/t17-/m0/s1