[(3S)-1-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]-(3-propan-2-yloxyphenyl)methanone

Systemtic Name: [(3S)-1-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]-(3-propan-2-yloxyphenyl)methanone Openeye Name: [(3S)-1-[(4-hydroxy-3,5-dimethoxy-phenyl)methyl]piperidin-1-ium-3-yl]-(3-isopropoxyphenyl)methanone CAS Name: [(3S)-1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-3-piperidin-1-iumyl]-(3-propan-2-yloxyphenyl)methanone IUPAC Name: [(3S)-1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-(3-propan-2-yloxyphenyl)methanone Traditional Name: [(3S)-1-(4-hydroxy-3,5-dimethoxy-benzyl)piperidin-1-ium-3-yl]-(3-isopropoxyphenyl)methanone Formula: C24H32NO5+ MolecularWeight: 414.51458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO5/c1-16(2)30-20-9-5-7-18(13-20)23(26)19-8-6-10-25(15-19)14-17-11-21(28-3)24(27)22(12-17)29-4/h5,7,9,11-13,16,19,27H,6,8,10,14-15H2,1-4H3/p+1/t19-/m0/s1