[2-[(3-aminocarbonyl-4-ethoxycarbonyl-5-methyl-furan-2-yl)amino]-2-oxidanylidene-ethyl]-[(4-dimethylaminophenyl)methyl]-methyl-azanium

Systemtic Name: [2-[(3-aminocarbonyl-4-ethoxycarbonyl-5-methyl-furan-2-yl)amino]-2-oxidanylidene-ethyl]-[(4-dimethylaminophenyl)methyl]-methyl-azanium Openeye Name: [2-[(3-carbamoyl-4-ethoxycarbonyl-5-methyl-2-furyl)amino]-2-oxo-ethyl]-[(4-dimethylaminophenyl)methyl]-methyl-ammonium CAS Name: [2-[(3-carbamoyl-4-ethoxycarbonyl-5-methyl-2-furanyl)amino]-2-oxoethyl]-[(4-dimethylaminophenyl)methyl]-methylammonium IUPAC Name: [2-[(3-carbamoyl-4-ethoxycarbonyl-5-methylfuran-2-yl)amino]-2-oxoethyl]-[(4-dimethylaminophenyl)methyl]-methylazanium Traditional Name: [2-[(3-carbamoyl-4-carbethoxy-5-methyl-2-furyl)amino]-2-keto-ethyl]-[4-(dimethylamino)benzyl]-methyl-ammonium Formula: C21H29N4O5+ MolecularWeight: 417.47876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C1C(=O)N)NC(=O)C[NH+](C)CC2=CC=C(C=C2)N(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C1C(=O)N)NC(=O)C[NH+](C)CC2=CC=C(C=C2)N(C)C)C

InChI

InChI=1S/C21H28N4O5/c1-6-29-21(28)17-13(2)30-20(18(17)19(22)27)23-16(26)12-25(5)11-14-7-9-15(10-8-14)24(3)4/h7-10H,6,11-12H2,1-5H3,(H2,22,27)(H,23,26)/p+1