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

Systemtic Name: [(3S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-(3-propan-2-yloxyphenyl)methanone Openeye Name: [(3S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-(3-isopropoxyphenyl)methanone CAS Name: [(3S)-1-[(3,4-dimethoxyphenyl)methyl]-3-piperidin-1-iumyl]-(3-propan-2-yloxyphenyl)methanone IUPAC Name: [(3S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-(3-propan-2-yloxyphenyl)methanone Traditional Name: (3-isopropoxyphenyl)-[(3S)-1-veratrylpiperidin-1-ium-3-yl]methanone Formula: C24H32NO4+ MolecularWeight: 398.51518

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO4/c1-17(2)29-21-9-5-7-19(14-21)24(26)20-8-6-12-25(16-20)15-18-10-11-22(27-3)23(13-18)28-4/h5,7,9-11,13-14,17,20H,6,8,12,15-16H2,1-4H3/p+1/t20-/m0/s1