(3R,4R)-4-(azepan-1-ium-1-yl)-1-(2,2-diphenylethyl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(2,2-diphenylethyl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(2,2-diphenylethyl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-4-(1-azepan-1-iumyl)-1-(2,2-diphenylethyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(2,2-diphenylethyl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(2,2-diphenylethyl)piperidin-1-ium-3-ol Formula: C25H36N2O+2 MolecularWeight: 380.56614

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C2CC[NH+](CC2O)CC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H]2CC[NH+](C[C@H]2O)CC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H34N2O/c28-25-20-26(18-15-24(25)27-16-9-1-2-10-17-27)19-23(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-8,11-14,23-25,28H,1-2,9-10,15-20H2/p+2/t24-,25-/m1/s1