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

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethoxy)-N-[(3R,4R)-4-oxidanyl-1-propan-2-yl-azepan-1-ium-3-yl]benzamide Openeye Name: 4-(2-amino-2-oxo-ethoxy)-N-[(3R,4R)-4-hydroxy-1-isopropyl-azepan-1-ium-3-yl]benzamide CAS Name: 4-(2-amino-2-oxoethoxy)-N-[(3R,4R)-4-hydroxy-1-propan-2-yl-3-azepan-1-iumyl]benzamide IUPAC Name: 4-(2-amino-2-oxoethoxy)-N-[(3R,4R)-4-hydroxy-1-propan-2-ylazepan-1-ium-3-yl]benzamide Traditional Name: 4-(2-amino-2-keto-ethoxy)-N-[(3R,4R)-4-hydroxy-1-isopropyl-azepan-1-ium-3-yl]benzamide Formula: C18H28N3O4+ MolecularWeight: 350.43262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCCC(C(C1)NC(=O)C2=CC=C(C=C2)OCC(=O)N)O

Isomeric SMILES

CC(C)[NH+]1CCC[C@H]([C@@H](C1)NC(=O)C2=CC=C(C=C2)OCC(=O)N)O

InChI

InChI=1S/C18H27N3O4/c1-12(2)21-9-3-4-16(22)15(10-21)20-18(24)13-5-7-14(8-6-13)25-11-17(19)23/h5-8,12,15-16,22H,3-4,9-11H2,1-2H3,(H2,19,23)(H,20,24)/p+1/t15-,16-/m1/s1