dimethylcarbamoyl-(C-hexoxycarbonimidoyl)-[(4-nitrophenyl)sulfanylcarbamoyl]-propyl-azanium

Systemtic Name: dimethylcarbamoyl-(C-hexoxycarbonimidoyl)-[(4-nitrophenyl)sulfanylcarbamoyl]-propyl-azanium Openeye Name: dimethylcarbamoyl-(hexoxycarbonimidoyl)-[(4-nitrophenyl)sulfanylcarbamoyl]-propyl-ammonium CAS Name: [dimethylamino(oxo)methyl]-[hexoxy(imino)methyl]-[[[(4-nitrophenyl)thio]amino]-oxomethyl]-propylammonium IUPAC Name: dimethylcarbamoyl-(C-hexoxycarbonimidoyl)-[(4-nitrophenyl)sulfanylcarbamoyl]-propylazanium Traditional Name: dimethylcarbamoyl-(hexoxycarbonimidoyl)-[[(4-nitrophenyl)thio]carbamoyl]-propyl-ammonium Formula: C20H32N5O5S+ MolecularWeight: 454.56358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=N)[N+](CCC)(C(=O)NSC1=CC=C(C=C1)[N+](=O)[O-])C(=O)N(C)C

Isomeric SMILES

CCCCCCOC(=N)[N+](CCC)(C(=O)NSC1=CC=C(C=C1)[N+](=O)[O-])C(=O)N(C)C

InChI

InChI=1S/C20H31N5O5S/c1-5-7-8-9-15-30-18(21)25(14-6-2,20(27)23(3)4)19(26)22-31-17-12-10-16(11-13-17)24(28)29/h10-13,21H,5-9,14-15H2,1-4H3/p+1