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

Systemtic Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(3-cyclopentyloxyphenyl)methyl]piperidin-1-ium-3-ol Openeye Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[[3-(cyclopentoxy)phenyl]methyl]piperidin-1-ium-3-ol CAS Name: (3R,4R)-4-(1-azepan-1-iumyl)-1-[(3-cyclopentyloxyphenyl)methyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(3-cyclopentyloxyphenyl)methyl]piperidin-1-ium-3-ol Traditional Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[3-(cyclopentoxy)benzyl]piperidin-1-ium-3-ol Formula: C23H38N2O2+2 MolecularWeight: 374.56002

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C2CC[NH+](CC2O)CC3=CC(=CC=C3)OC4CCCC4

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H]2CC[NH+](C[C@H]2O)CC3=CC(=CC=C3)OC4CCCC4

InChI

InChI=1S/C23H36N2O2/c26-23-18-24(15-12-22(23)25-13-5-1-2-6-14-25)17-19-8-7-11-21(16-19)27-20-9-3-4-10-20/h7-8,11,16,20,22-23,26H,1-6,9-10,12-15,17-18H2/p+2/t22-,23-/m1/s1