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

Systemtic Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-phenethyl-piperidin-1-ium-3-ol Openeye Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-phenethyl-piperidin-1-ium-3-ol CAS Name: (3R,4R)-4-(1-azepan-1-iumyl)-1-phenethyl-3-piperidin-1-iumol IUPAC Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-phenethylpiperidin-1-ium-3-ol Traditional Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-phenethyl-piperidin-1-ium-3-ol Formula: C19H32N2O+2 MolecularWeight: 304.47018

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C2CC[NH+](CC2O)CCC3=CC=CC=C3

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H]2CC[NH+](C[C@H]2O)CCC3=CC=CC=C3

InChI

InChI=1S/C19H30N2O/c22-19-16-20(14-10-17-8-4-3-5-9-17)15-11-18(19)21-12-6-1-2-7-13-21/h3-5,8-9,18-19,22H,1-2,6-7,10-16H2/p+2/t18-,19-/m1/s1