N-[3-(azepan-1-ium-1-yl)propyl]-2-[(2R)-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]ethanamide

Systemtic Name: N-[3-(azepan-1-ium-1-yl)propyl]-2-[(2R)-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]ethanamide Openeye Name: N-[3-(azepan-1-ium-1-yl)propyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide CAS Name: N-[3-(1-azepan-1-iumyl)propyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide IUPAC Name: N-[3-(azepan-1-ium-1-yl)propyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide Traditional Name: N-[3-(azepan-1-ium-1-yl)propyl]-2-[(2R)-3-keto-4H-1,4-benzoxazin-2-yl]acetamide Formula: C19H28N3O3+ MolecularWeight: 346.44392

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCCNC(=O)CC2C(=O)NC3=CC=CC=C3O2

Isomeric SMILES

C1CCC[NH+](CC1)CCCNC(=O)C[C@@H]2C(=O)NC3=CC=CC=C3O2

InChI

InChI=1S/C19H27N3O3/c23-18(20-10-7-13-22-11-5-1-2-6-12-22)14-17-19(24)21-15-8-3-4-9-16(15)25-17/h3-4,8-9,17H,1-2,5-7,10-14H2,(H,20,23)(H,21,24)/p+1/t17-/m1/s1