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

Systemtic Name: [(1S)-1-[2,2-dimethyl-3-oxidanylidene-4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-1,4-benzoxazin-6-yl]propyl]azanium Openeye Name: [(1S)-1-[2,2-dimethyl-3-oxo-4-[2-oxo-2-(1-piperidyl)ethyl]-1,4-benzoxazin-6-yl]propyl]ammonium CAS Name: [(1S)-1-[2,2-dimethyl-3-oxo-4-[2-oxo-2-(1-piperidinyl)ethyl]-1,4-benzoxazin-6-yl]propyl]ammonium IUPAC Name: [(1S)-1-[2,2-dimethyl-3-oxo-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazin-6-yl]propyl]azanium Traditional Name: [(1S)-1-[3-keto-4-(2-keto-2-piperidino-ethyl)-2,2-dimethyl-1,4-benzoxazin-6-yl]propyl]ammonium Formula: C20H30N3O3+ MolecularWeight: 360.4705

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O3/c1-4-15(21)14-8-9-17-16(12-14)23(19(25)20(2,3)26-17)13-18(24)22-10-6-5-7-11-22/h8-9,12,15H,4-7,10-11,13,21H2,1-3H3/p+1/t15-/m0/s1