methyl-[(4R)-7-oxidanylidene-1-(phenylmethyl)azepan-4-yl]-[(5-phenyl-1,2-oxazol-3-yl)methyl]azanium

Systemtic Name: methyl-[(4R)-7-oxidanylidene-1-(phenylmethyl)azepan-4-yl]-[(5-phenyl-1,2-oxazol-3-yl)methyl]azanium Openeye Name: [(4R)-1-benzyl-7-oxo-azepan-4-yl]-methyl-[(5-phenylisoxazol-3-yl)methyl]ammonium CAS Name: methyl-[(4R)-7-oxo-1-(phenylmethyl)-4-azepanyl]-[(5-phenyl-3-isoxazolyl)methyl]ammonium IUPAC Name: [(4R)-1-benzyl-7-oxoazepan-4-yl]-methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]azanium Traditional Name: [(4R)-1-benzyl-7-keto-azepan-4-yl]-methyl-[(5-phenylisoxazol-3-yl)methyl]ammonium Formula: C24H28N3O2+ MolecularWeight: 390.49802

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NOC(=C1)C2=CC=CC=C2)C3CCC(=O)N(CC3)CC4=CC=CC=C4

Isomeric SMILES

C[NH+](CC1=NOC(=C1)C2=CC=CC=C2)[C@@H]3CCC(=O)N(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O2/c1-26(18-21-16-23(29-25-21)20-10-6-3-7-11-20)22-12-13-24(28)27(15-14-22)17-19-8-4-2-5-9-19/h2-11,16,22H,12-15,17-18H2,1H3/p+1/t22-/m1/s1