[(3R,4R,5S)-5-methyl-3-oxidanyl-1-(phenylmethyl)azepan-1-ium-4-yl]azanium

Systemtic Name: [(3R,4R,5S)-5-methyl-3-oxidanyl-1-(phenylmethyl)azepan-1-ium-4-yl]azanium Openeye Name: [(3R,4R,5S)-1-benzyl-3-hydroxy-5-methyl-azepan-1-ium-4-yl]ammonium CAS Name: [(3R,4R,5S)-3-hydroxy-5-methyl-1-(phenylmethyl)-4-azepan-1-iumyl]ammonium IUPAC Name: [(3R,4R,5S)-1-benzyl-3-hydroxy-5-methylazepan-1-ium-4-yl]azanium Traditional Name: [(3R,4R,5S)-1-benzyl-3-hydroxy-5-methyl-azepan-1-ium-4-yl]ammonium Formula: C14H24N2O+2 MolecularWeight: 236.35316

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC(C1[NH3+])O)CC2=CC=CC=C2

Isomeric SMILES

C[C@H]1CC[NH+](C[C@H]([C@@H]1[NH3+])O)CC2=CC=CC=C2

InChI

InChI=1S/C14H22N2O/c1-11-7-8-16(10-13(17)14(11)15)9-12-5-3-2-4-6-12/h2-6,11,13-14,17H,7-10,15H2,1H3/p+2/t11-,13+,14+/m0/s1