3-[1-(cyclopropylmethyl)-1,2,3,6-tetrahydropyridin-1-ium-4-yl]-5-nitro-1H-indole chloride

Systemtic Name: 3-[1-(cyclopropylmethyl)-1,2,3,6-tetrahydropyridin-1-ium-4-yl]-5-nitro-1H-indole chloride Openeye Name: 3-[1-(cyclopropylmethyl)-1,2,3,6-tetrahydropyridin-1-ium-4-yl]-5-nitro-1H-indole chloride CAS Name: 3-[1-(cyclopropylmethyl)-1,2,3,6-tetrahydropyridin-1-ium-4-yl]-5-nitro-1H-indole chloride IUPAC Name: 3-[1-(cyclopropylmethyl)-1,2,3,6-tetrahydropyridin-1-ium-4-yl]-5-nitro-1H-indole chloride Traditional Name: 3-[1-(cyclopropylmethyl)-1,2,3,6-tetrahydropyridin-1-ium-4-yl]-5-nitro-1H-indole chloride Formula: C17H20ClN3O2 MolecularWeight: 333.8126

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C[NH+]2CCC(=CC2)C3=CNC4=C3C=C(C=C4)[N+](=O)[O-].[Cl-]

Isomeric SMILES

C1CC1C[NH+]2CCC(=CC2)C3=CNC4=C3C=C(C=C4)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C17H19N3O2.ClH/c21-20(22)14-3-4-17-15(9-14)16(10-18-17)13-5-7-19(8-6-13)11-12-1-2-12;/h3-5,9-10,12,18H,1-2,6-8,11H2;1H