[(3R)-1-[(2,4-dimethoxy-3-methyl-phenyl)methyl]piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone

Systemtic Name: [(3R)-1-[(2,4-dimethoxy-3-methyl-phenyl)methyl]piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone Openeye Name: [(3R)-1-[(2,4-dimethoxy-3-methyl-phenyl)methyl]piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone CAS Name: [(3R)-1-[(2,4-dimethoxy-3-methylphenyl)methyl]-3-piperidin-1-iumyl]-(3-methoxyphenyl)methanone IUPAC Name: [(3R)-1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone Traditional Name: [(3R)-1-(2,4-dimethoxy-3-methyl-benzyl)piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone Formula: C23H30NO4+ MolecularWeight: 384.4886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1OC)C[NH+]2CCCC(C2)C(=O)C3=CC(=CC=C3)OC)OC

Isomeric SMILES

CC1=C(C=CC(=C1OC)C[NH+]2CCC[C@H](C2)C(=O)C3=CC(=CC=C3)OC)OC

InChI

InChI=1S/C23H29NO4/c1-16-21(27-3)11-10-19(23(16)28-4)15-24-12-6-8-18(14-24)22(25)17-7-5-9-20(13-17)26-2/h5,7,9-11,13,18H,6,8,12,14-15H2,1-4H3/p+1/t18-/m1/s1