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

Systemtic Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(2-cyclopentyloxyphenyl)methyl]piperidin-1-ium-3-ol Openeye Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[[2-(cyclopentoxy)phenyl]methyl]piperidin-1-ium-3-ol CAS Name: (3R,4R)-4-(1-azepan-1-iumyl)-1-[(2-cyclopentyloxyphenyl)methyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(2-cyclopentyloxyphenyl)methyl]piperidin-1-ium-3-ol Traditional Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[2-(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=C3OC4CCCC4

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H]2CC[NH+](C[C@H]2O)CC3=CC=CC=C3OC4CCCC4

InChI

InChI=1S/C23H36N2O2/c26-22-18-24(16-13-21(22)25-14-7-1-2-8-15-25)17-19-9-3-6-12-23(19)27-20-10-4-5-11-20/h3,6,9,12,20-22,26H,1-2,4-5,7-8,10-11,13-18H2/p+2/t21-,22-/m1/s1