4-(2-azanyl-2-oxidanylidene-ethoxy)-N-[(3R,4R)-1-(cyclopropylmethyl)-4-oxidanyl-azepan-1-ium-3-yl]benzamide

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethoxy)-N-[(3R,4R)-1-(cyclopropylmethyl)-4-oxidanyl-azepan-1-ium-3-yl]benzamide Openeye Name: 4-(2-amino-2-oxo-ethoxy)-N-[(3R,4R)-1-(cyclopropylmethyl)-4-hydroxy-azepan-1-ium-3-yl]benzamide CAS Name: 4-(2-amino-2-oxoethoxy)-N-[(3R,4R)-1-(cyclopropylmethyl)-4-hydroxy-3-azepan-1-iumyl]benzamide IUPAC Name: 4-(2-amino-2-oxoethoxy)-N-[(3R,4R)-1-(cyclopropylmethyl)-4-hydroxyazepan-1-ium-3-yl]benzamide Traditional Name: 4-(2-amino-2-keto-ethoxy)-N-[(3R,4R)-1-(cyclopropylmethyl)-4-hydroxy-azepan-1-ium-3-yl]benzamide Formula: C19H28N3O4+ MolecularWeight: 362.44332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C[NH+](C1)CC2CC2)NC(=O)C3=CC=C(C=C3)OCC(=O)N)O

Isomeric SMILES

C1C[C@H]([C@@H](C[NH+](C1)CC2CC2)NC(=O)C3=CC=C(C=C3)OCC(=O)N)O

InChI

InChI=1S/C19H27N3O4/c20-18(24)12-26-15-7-5-14(6-8-15)19(25)21-16-11-22(10-13-3-4-13)9-1-2-17(16)23/h5-8,13,16-17,23H,1-4,9-12H2,(H2,20,24)(H,21,25)/p+1/t16-,17-/m1/s1