2-(5'-nitro-2'-sulfanyl-spiro[azinan-1-ium-1,1'-indol-1-ium]-2-yl)ethanol

Systemtic Name: 2-(5'-nitro-2'-sulfanyl-spiro[azinan-1-ium-1,1'-indol-1-ium]-2-yl)ethanol Openeye Name: 2-(5'-nitro-2'-sulfanyl-spiro[azinan-1-ium-1,1'-indol-1-ium]-2-yl)ethanol CAS Name: 2-(2'-mercapto-5'-nitro-2-spiro[azinan-1-ium-1,1'-indol-1-ium]yl)ethanol IUPAC Name: 2-(5'-nitro-2'-sulfanylspiro[azinan-1-ium-1,1'-indol-1-ium]-2-yl)ethanol Traditional Name: 2-(2'-mercapto-5'-nitro-spiro[azinan-1-ium-1,1'-indol-1-ium]-2-yl)ethanol Formula: C15H19N2O3S+ MolecularWeight: 307.38796

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+]2(C(C1)CCO)C3=C(C=C(C=C3)[N+](=O)[O-])C=C2S

Isomeric SMILES

C1CC[N+]2(C(C1)CCO)C3=C(C=C(C=C3)[N+](=O)[O-])C=C2S

InChI

InChI=1S/C15H18N2O3S/c18-8-6-13-3-1-2-7-17(13)14-5-4-12(16(19)20)9-11(14)10-15(17)21/h4-5,9-10,13,18H,1-3,6-8H2/p+1