(2-azanyl-2-oxidanylidene-ethyl)-[2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]-propan-2-yl-azanium

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl)-[2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]-propan-2-yl-azanium Openeye Name: (2-amino-2-oxo-ethyl)-[2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl]-isopropyl-ammonium CAS Name: (2-amino-2-oxoethyl)-[2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-propan-2-ylammonium IUPAC Name: (2-amino-2-oxoethyl)-[2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-propan-2-ylazanium Traditional Name: (2-amino-2-keto-ethyl)-[2-(4-carbethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl]-isopropyl-ammonium Formula: C16H26N3O4+ MolecularWeight: 324.39534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C[NH+](CC(=O)N)C(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)C[NH+](CC(=O)N)C(C)C)C

InChI

InChI=1S/C16H25N3O4/c1-6-23-16(22)14-10(4)15(18-11(14)5)12(20)7-19(9(2)3)8-13(17)21/h9,18H,6-8H2,1-5H3,(H2,17,21)/p+1