2-[(E)-N'-methoxycarbonylcarbamimidoyl]isoindol-2-ium-2-sulfinic acid

Systemtic Name: 2-[(E)-N'-methoxycarbonylcarbamimidoyl]isoindol-2-ium-2-sulfinic acid Openeye Name: 2-[(E)-N'-methoxycarbonylcarbamimidoyl]isoindol-2-ium-2-sulfinic acid CAS Name: 2-[(E)-amino(methoxycarbonylimino)methyl]-2-isoindol-2-iumsulfinic acid IUPAC Name: 2-[(E)-N'-methoxycarbonylcarbamimidoyl]isoindol-2-ium-2-sulfinic acid Traditional Name: 2-[(E)-N'-carbomethoxyamidino]isoindol-2-ium-2-sulfinic acid Formula: C11H12N3O4S+ MolecularWeight: 282.29568

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N=C(N)[N+]1(C=C2C=CC=CC2=C1)S(=O)O

Isomeric SMILES

COC(=O)/N=C(\N)/[N+]1(C=C2C=CC=CC2=C1)S(=O)O

InChI

InChI=1S/C11H11N3O4S/c1-18-11(15)13-10(12)14(19(16)17)6-8-4-2-3-5-9(8)7-14/h2-7H,1H3,(H2-,12,13,15,16,17)/p+1