(2-carboxy-5H-pyrimido[5,4-b]indol-8-yl)-dimethyl-sulfino-azanium

Systemtic Name: (2-carboxy-5H-pyrimido[5,4-b]indol-8-yl)-dimethyl-sulfino-azanium Openeye Name: (2-carboxy-5H-pyrimido[5,4-b]indol-8-yl)-dimethyl-sulfino-ammonium CAS Name: (2-carboxy-5H-pyrimido[5,4-b]indol-8-yl)-dimethyl-sulfinoammonium IUPAC Name: (2-carboxy-5H-pyrimido[5,4-b]indol-8-yl)-dimethyl-sulfinoazanium Traditional Name: (2-carboxy-5H-pyrimid[5,4-b]indol-8-yl)-dimethyl-sulfino-ammonium Formula: C13H13N4O4S+ MolecularWeight: 321.33172

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C1=CC2=C(C=C1)NC3=CN=C(N=C23)C(=O)O)S(=O)O

Isomeric SMILES

C[N+](C)(C1=CC2=C(C=C1)NC3=CN=C(N=C23)C(=O)O)S(=O)O

InChI

InChI=1S/C13H12N4O4S/c1-17(2,22(20)21)7-3-4-9-8(5-7)11-10(15-9)6-14-12(16-11)13(18)19/h3-6H,1-2H3,(H2-,14,15,16,18,19,20,21)/p+1