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

Systemtic Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(2-oxidanylnaphthalen-1-yl)methyl]piperidin-1-ium-3-ol Openeye Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(2-hydroxy-1-naphthyl)methyl]piperidin-1-ium-3-ol CAS Name: (3R,4R)-4-(1-azepan-1-iumyl)-1-[(2-hydroxy-1-naphthalenyl)methyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(2-hydroxynaphthalen-1-yl)methyl]piperidin-1-ium-3-ol Traditional Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(2-hydroxy-1-naphthyl)methyl]piperidin-1-ium-3-ol Formula: C22H32N2O2+2 MolecularWeight: 356.50168

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C2CC[NH+](CC2O)CC3=C(C=CC4=CC=CC=C43)O

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H]2CC[NH+](C[C@H]2O)CC3=C(C=CC4=CC=CC=C43)O

InChI

InChI=1S/C22H30N2O2/c25-21-10-9-17-7-3-4-8-18(17)19(21)15-23-14-11-20(22(26)16-23)24-12-5-1-2-6-13-24/h3-4,7-10,20,22,25-26H,1-2,5-6,11-16H2/p+2/t20-,22-/m1/s1