[2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]-(3-morpholin-4-ium-4-ylpropyl)azanium

Systemtic Name: [2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]-(3-morpholin-4-ium-4-ylpropyl)azanium Openeye Name: [2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl]-(3-morpholin-4-ium-4-ylpropyl)ammonium CAS Name: [2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-[3-(4-morpholin-4-iumyl)propyl]ammonium IUPAC Name: [2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-(3-morpholin-4-ium-4-ylpropyl)azanium Traditional Name: [2-(4-carbethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl]-(3-morpholin-4-ium-4-ylpropyl)ammonium Formula: C18H31N3O4+2 MolecularWeight: 353.45644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C[NH2+]CCC[NH+]2CCOCC2)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)C[NH2+]CCC[NH+]2CCOCC2)C

InChI

InChI=1S/C18H29N3O4/c1-4-25-18(23)16-13(2)17(20-14(16)3)15(22)12-19-6-5-7-21-8-10-24-11-9-21/h19-20H,4-12H2,1-3H3/p+2