ethyl-[1,1,5-trimethyl-4-oxidanylidene-2-[(1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl)amino]-2H-3,1-benzoxazin-1-ium-6-yl]carbamic acid

Systemtic Name: ethyl-[1,1,5-trimethyl-4-oxidanylidene-2-[(1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl)amino]-2H-3,1-benzoxazin-1-ium-6-yl]carbamic acid Openeye Name: ethyl-[1,1,5-trimethyl-2-[(1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl)amino]-4-oxo-2H-3,1-benzoxazin-1-ium-6-yl]carbamic acid CAS Name: ethyl-[1,1,5-trimethyl-4-oxo-2-[[1-oxo-1-(1-pyrrolidinyl)propan-2-yl]amino]-2H-3,1-benzoxazin-1-ium-6-yl]carbamic acid IUPAC Name: ethyl-[1,1,5-trimethyl-4-oxo-2-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]-2H-3,1-benzoxazin-1-ium-6-yl]carbamic acid Traditional Name: ethyl-[4-keto-2-[(2-keto-1-methyl-2-pyrrolidino-ethyl)amino]-1,1,5-trimethyl-2H-3,1-benzoxazin-1-ium-6-yl]carbamic acid Formula: C21H31N4O5+ MolecularWeight: 419.49464

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(C2=C(C=C1)[N+](C(OC2=O)NC(C)C(=O)N3CCCC3)(C)C)C)C(=O)O

Isomeric SMILES

CCN(C1=C(C2=C(C=C1)[N+](C(OC2=O)NC(C)C(=O)N3CCCC3)(C)C)C)C(=O)O

InChI

InChI=1S/C21H30N4O5/c1-6-24(21(28)29)15-9-10-16-17(13(15)2)19(27)30-20(25(16,4)5)22-14(3)18(26)23-11-7-8-12-23/h9-10,14,20,22H,6-8,11-12H2,1-5H3/p+1