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

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl)-[2-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-2-oxidanylidene-ethyl]-propan-2-yl-azanium Openeye Name: (2-amino-2-oxo-ethyl)-[2-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl]-isopropyl-ammonium CAS Name: (2-amino-2-oxoethyl)-[2-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-propan-2-ylammonium IUPAC Name: (2-amino-2-oxoethyl)-[2-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-propan-2-ylazanium Traditional Name: (2-amino-2-keto-ethyl)-[2-(5-carbethoxy-2,4-dimethyl-1H-pyrrol-3-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(C(=C(N1)C)C(=O)C[NH+](CC(=O)N)C(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)C[NH+](CC(=O)N)C(C)C)C

InChI

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