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

Systemtic Name: (2,4-dimethoxyphenyl)-[(3S)-1-[(2-oxidanylnaphthalen-1-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (2,4-dimethoxyphenyl)-[(3S)-1-[(2-hydroxy-1-naphthyl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: (2,4-dimethoxyphenyl)-[(3S)-1-[(2-hydroxy-1-naphthalenyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (2,4-dimethoxyphenyl)-[(3S)-1-[(2-hydroxynaphthalen-1-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (2,4-dimethoxyphenyl)-[(3S)-1-[(2-hydroxy-1-naphthyl)methyl]piperidin-1-ium-3-yl]methanone Formula: C25H28NO4+ MolecularWeight: 406.49412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)C2CCC[NH+](C2)CC3=C(C=CC4=CC=CC=C43)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=C(C=CC4=CC=CC=C43)O)OC

InChI

InChI=1S/C25H27NO4/c1-29-19-10-11-21(24(14-19)30-2)25(28)18-7-5-13-26(15-18)16-22-20-8-4-3-6-17(20)9-12-23(22)27/h3-4,6,8-12,14,18,27H,5,7,13,15-16H2,1-2H3/p+1/t18-/m0/s1