(3R,4R)-4-(azepan-1-ium-1-yl)-1-[(3-ethoxyphenyl)methyl]piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(3-ethoxyphenyl)methyl]piperidin-1-ium-3-ol Openeye Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(3-ethoxyphenyl)methyl]piperidin-1-ium-3-ol CAS Name: (3R,4R)-4-(1-azepan-1-iumyl)-1-[(3-ethoxyphenyl)methyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(3-ethoxyphenyl)methyl]piperidin-1-ium-3-ol Traditional Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(3-ethoxybenzyl)piperidin-1-ium-3-ol Formula: C20H34N2O2+2 MolecularWeight: 334.49616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C[NH+]2CCC(C(C2)O)[NH+]3CCCCCC3

Isomeric SMILES

CCOC1=CC=CC(=C1)C[NH+]2CC[C@H]([C@@H](C2)O)[NH+]3CCCCCC3

InChI

InChI=1S/C20H32N2O2/c1-2-24-18-9-7-8-17(14-18)15-21-13-10-19(20(23)16-21)22-11-5-3-4-6-12-22/h7-9,14,19-20,23H,2-6,10-13,15-16H2,1H3/p+2/t19-,20-/m1/s1