2-[1-azanyl-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-7-oxidanylidene-azepin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[1-azanyl-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-7-oxidanylidene-azepin-1-ium-1-yl]ethanoic acid Openeye Name: 2-(1-amino-6-tert-butoxycarbonyl-2,2-dimethyl-7-oxo-azepin-1-ium-1-yl)acetic acid CAS Name: 2-[1-amino-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxy-oxomethyl]-7-oxo-1-azepin-1-iumyl]acetic acid IUPAC Name: 2-[1-amino-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-7-oxoazepin-1-ium-1-yl]acetic acid Traditional Name: 2-(1-amino-6-tert-butoxycarbonyl-7-keto-2,2-dimethyl-azepin-1-ium-1-yl)acetic acid Formula: C15H23N2O5+ MolecularWeight: 311.35352

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC=C(C(=O)[N+]1(CC(=O)O)N)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1(C=CC=C(C(=O)[N+]1(CC(=O)O)N)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C15H22N2O5/c1-14(2,3)22-13(21)10-7-6-8-15(4,5)17(16,12(10)20)9-11(18)19/h6-8H,9,16H2,1-5H3/p+1