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

Systemtic Name: ethyl-[1,1,5-trimethyl-4-oxidanylidene-2-[(3-oxidanylidene-1-pyridin-3-yl-3-pyrrolidin-1-yl-propyl)amino]-2H-3,1-benzoxazin-1-ium-6-yl]carbamic acid Openeye Name: ethyl-[1,1,5-trimethyl-4-oxo-2-[[3-oxo-1-(3-pyridyl)-3-pyrrolidin-1-yl-propyl]amino]-2H-3,1-benzoxazin-1-ium-6-yl]carbamic acid CAS Name: ethyl-[1,1,5-trimethyl-4-oxo-2-[[3-oxo-1-(3-pyridinyl)-3-(1-pyrrolidinyl)propyl]amino]-2H-3,1-benzoxazin-1-ium-6-yl]carbamic acid IUPAC Name: ethyl-[1,1,5-trimethyl-4-oxo-2-[(3-oxo-1-pyridin-3-yl-3-pyrrolidin-1-ylpropyl)amino]-2H-3,1-benzoxazin-1-ium-6-yl]carbamic acid Traditional Name: ethyl-[4-keto-2-[[3-keto-1-(3-pyridyl)-3-pyrrolidino-propyl]amino]-1,1,5-trimethyl-2H-3,1-benzoxazin-1-ium-6-yl]carbamic acid Formula: C26H34N5O5+ MolecularWeight: 496.57866

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(C2=C(C=C1)[N+](C(OC2=O)NC(CC(=O)N3CCCC3)C4=CN=CC=C4)(C)C)C)C(=O)O

Isomeric SMILES

CCN(C1=C(C2=C(C=C1)[N+](C(OC2=O)NC(CC(=O)N3CCCC3)C4=CN=CC=C4)(C)C)C)C(=O)O

InChI

InChI=1S/C26H33N5O5/c1-5-30(26(34)35)20-10-11-21-23(17(20)2)24(33)36-25(31(21,3)4)28-19(18-9-8-12-27-16-18)15-22(32)29-13-6-7-14-29/h8-12,16,19,25,28H,5-7,13-15H2,1-4H3/p+1