(3R,4R)-4-(azepan-1-ium-1-yl)-1-[(3-ethoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(3-ethoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-3-ol Openeye Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(3-ethoxy-2-hydroxy-phenyl)methyl]piperidin-1-ium-3-ol CAS Name: (3R,4R)-4-(1-azepan-1-iumyl)-1-[(3-ethoxy-2-hydroxyphenyl)methyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(3-ethoxy-2-hydroxyphenyl)methyl]piperidin-1-ium-3-ol Traditional Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(3-ethoxy-2-hydroxy-benzyl)piperidin-1-ium-3-ol Formula: C20H34N2O3+2 MolecularWeight: 350.49556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1O)C[NH+]2CCC(C(C2)O)[NH+]3CCCCCC3

Isomeric SMILES

CCOC1=CC=CC(=C1O)C[NH+]2CC[C@H]([C@@H](C2)O)[NH+]3CCCCCC3

InChI

InChI=1S/C20H32N2O3/c1-2-25-19-9-7-8-16(20(19)24)14-21-13-10-17(18(23)15-21)22-11-5-3-4-6-12-22/h7-9,17-18,23-24H,2-6,10-15H2,1H3/p+2/t17-,18-/m1/s1