1-(cyclopropylmethyl)-5-nitro-1-propyl-indol-1-ium-2-thiol

Systemtic Name: 1-(cyclopropylmethyl)-5-nitro-1-propyl-indol-1-ium-2-thiol Openeye Name: 1-(cyclopropylmethyl)-5-nitro-1-propyl-indol-1-ium-2-thiol CAS Name: 1-(cyclopropylmethyl)-5-nitro-1-propyl-2-indol-1-iumthiol IUPAC Name: 1-(cyclopropylmethyl)-5-nitro-1-propylindol-1-ium-2-thiol Traditional Name: 1-(cyclopropylmethyl)-5-nitro-1-propyl-indol-1-ium-2-thiol Formula: C15H19N2O2S+ MolecularWeight: 291.38856

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(C2=C(C=C(C=C2)[N+](=O)[O-])C=C1S)CC3CC3

Isomeric SMILES

CCC[N+]1(C2=C(C=C(C=C2)[N+](=O)[O-])C=C1S)CC3CC3

InChI

InChI=1S/C15H18N2O2S/c1-2-7-17(10-11-3-4-11)14-6-5-13(16(18)19)8-12(14)9-15(17)20/h5-6,8-9,11H,2-4,7,10H2,1H3/p+1