(3R,4R)-4-(azepan-1-ium-1-yl)-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(1-naphthylmethyl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-4-(1-azepan-1-iumyl)-1-(1-naphthalenylmethyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(1-naphthylmethyl)piperidin-1-ium-3-ol Formula: C22H32N2O+2 MolecularWeight: 340.50228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O/c25-22-17-23(15-12-21(22)24-13-5-1-2-6-14-24)16-19-10-7-9-18-8-3-4-11-20(18)19/h3-4,7-11,21-22,25H,1-2,5-6,12-17H2/p+2/t21-,22-/m1/s1