[(1S)-1-[(2R)-2-methyl-3-oxidanylidene-4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-1,4-benzoxazin-6-yl]propyl]azanium

Systemtic Name: [(1S)-1-[(2R)-2-methyl-3-oxidanylidene-4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-1,4-benzoxazin-6-yl]propyl]azanium Openeye Name: [(1S)-1-[(2R)-2-methyl-3-oxo-4-[2-oxo-2-(1-piperidyl)ethyl]-1,4-benzoxazin-6-yl]propyl]ammonium CAS Name: [(1S)-1-[(2R)-2-methyl-3-oxo-4-[2-oxo-2-(1-piperidinyl)ethyl]-1,4-benzoxazin-6-yl]propyl]ammonium IUPAC Name: [(1S)-1-[(2R)-2-methyl-3-oxo-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazin-6-yl]propyl]azanium Traditional Name: [(1S)-1-[(2R)-3-keto-4-(2-keto-2-piperidino-ethyl)-2-methyl-1,4-benzoxazin-6-yl]propyl]ammonium Formula: C19H28N3O3+ MolecularWeight: 346.44392

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC2=C(C=C1)OC(C(=O)N2CC(=O)N3CCCCC3)C)[NH3+]

Isomeric SMILES

CC[C@@H](C1=CC2=C(C=C1)O[C@@H](C(=O)N2CC(=O)N3CCCCC3)C)[NH3+]

InChI

InChI=1S/C19H27N3O3/c1-3-15(20)14-7-8-17-16(11-14)22(19(24)13(2)25-17)12-18(23)21-9-5-4-6-10-21/h7-8,11,13,15H,3-6,9-10,12,20H2,1-2H3/p+1/t13-,15+/m1/s1