[(2R)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone

Systemtic Name: [(2R)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Openeye Name: [(2R)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone CAS Name: [(2R)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: [(2R)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Traditional Name: [(2R)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Formula: C15H22N3O2+ MolecularWeight: 276.35408

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)C2CNC3=CC=CC=C3O2

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)[C@H]2CNC3=CC=CC=C3O2

InChI

InChI=1S/C15H21N3O2/c1-17-7-4-8-18(10-9-17)15(19)14-11-16-12-5-2-3-6-13(12)20-14/h2-3,5-6,14,16H,4,7-11H2,1H3/p+1/t14-/m1/s1