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

Systemtic Name: [(3S)-1-[(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]-(3-propan-2-yloxyphenyl)methanone Openeye Name: [(3S)-1-[(3-chloro-4-hydroxy-5-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]-(3-isopropoxyphenyl)methanone CAS Name: [(3S)-1-[(3-chloro-4-hydroxy-5-methoxyphenyl)methyl]-3-piperidin-1-iumyl]-(3-propan-2-yloxyphenyl)methanone IUPAC Name: [(3S)-1-[(3-chloro-4-hydroxy-5-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-(3-propan-2-yloxyphenyl)methanone Traditional Name: [(3S)-1-(3-chloro-4-hydroxy-5-methoxy-benzyl)piperidin-1-ium-3-yl]-(3-isopropoxyphenyl)methanone Formula: C23H29ClNO4+ MolecularWeight: 418.93366

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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)Cl)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H28ClNO4/c1-15(2)29-19-8-4-6-17(12-19)22(26)18-7-5-9-25(14-18)13-16-10-20(24)23(27)21(11-16)28-3/h4,6,8,10-12,15,18,27H,5,7,9,13-14H2,1-3H3/p+1/t18-/m0/s1