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

Systemtic Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(3-phenylpropyl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(3-phenylpropyl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-4-(1-azepan-1-iumyl)-1-(3-phenylpropyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(3-phenylpropyl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(3-phenylpropyl)piperidin-1-ium-3-ol Formula: C20H34N2O+2 MolecularWeight: 318.49676

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C2CC[NH+](CC2O)CCCC3=CC=CC=C3

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H]2CC[NH+](C[C@H]2O)CCCC3=CC=CC=C3

InChI

InChI=1S/C20H32N2O/c23-20-17-21(13-8-11-18-9-4-3-5-10-18)16-12-19(20)22-14-6-1-2-7-15-22/h3-5,9-10,19-20,23H,1-2,6-8,11-17H2/p+2/t19-,20-/m1/s1