[(3S)-1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-3-yl]-(3-propan-2-yloxyphenyl)methanone

Systemtic Name: [(3S)-1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-3-yl]-(3-propan-2-yloxyphenyl)methanone Openeye Name: (3-isopropoxyphenyl)-[(3S)-1-[(5-methyl-2-furyl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: [(3S)-1-[(5-methyl-2-furanyl)methyl]-3-piperidin-1-iumyl]-(3-propan-2-yloxyphenyl)methanone IUPAC Name: [(3S)-1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-3-yl]-(3-propan-2-yloxyphenyl)methanone Traditional Name: (3-isopropoxyphenyl)-[(3S)-1-[(5-methyl-2-furyl)methyl]piperidin-1-ium-3-yl]methanone Formula: C21H28NO3+ MolecularWeight: 342.45192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CCCC(C2)C(=O)C3=CC(=CC=C3)OC(C)C

Isomeric SMILES

CC1=CC=C(O1)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC(=CC=C3)OC(C)C

InChI

InChI=1S/C21H27NO3/c1-15(2)24-19-8-4-6-17(12-19)21(23)18-7-5-11-22(13-18)14-20-10-9-16(3)25-20/h4,6,8-10,12,15,18H,5,7,11,13-14H2,1-3H3/p+1/t18-/m0/s1