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

Systemtic Name: [(3S)-1-[(5-methoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]-(3-propan-2-yloxyphenyl)methanone Openeye Name: [(3S)-1-[(2-hydroxy-5-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]-(3-isopropoxyphenyl)methanone CAS Name: [(3S)-1-[(2-hydroxy-5-methoxyphenyl)methyl]-3-piperidin-1-iumyl]-(3-propan-2-yloxyphenyl)methanone IUPAC Name: [(3S)-1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-(3-propan-2-yloxyphenyl)methanone Traditional Name: [(3S)-1-(2-hydroxy-5-methoxy-benzyl)piperidin-1-ium-3-yl]-(3-isopropoxyphenyl)methanone Formula: C23H30NO4+ MolecularWeight: 384.4886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)C2CCC[NH+](C2)CC3=C(C=CC(=C3)OC)O

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=C(C=CC(=C3)OC)O

InChI

InChI=1S/C23H29NO4/c1-16(2)28-21-8-4-6-17(12-21)23(26)18-7-5-11-24(14-18)15-19-13-20(27-3)9-10-22(19)25/h4,6,8-10,12-13,16,18,25H,5,7,11,14-15H2,1-3H3/p+1/t18-/m0/s1