1-methyl-5-nitro-3-phenyl-2-(piperidin-1-ium-1-ylmethyl)indole

Systemtic Name: 1-methyl-5-nitro-3-phenyl-2-(piperidin-1-ium-1-ylmethyl)indole Openeye Name: 1-methyl-5-nitro-3-phenyl-2-(piperidin-1-ium-1-ylmethyl)indole CAS Name: 1-methyl-5-nitro-3-phenyl-2-(1-piperidin-1-iumylmethyl)indole IUPAC Name: 1-methyl-5-nitro-3-phenyl-2-(piperidin-1-ium-1-ylmethyl)indole Traditional Name: 1-methyl-5-nitro-3-phenyl-2-(piperidin-1-ium-1-ylmethyl)indole Formula: C21H24N3O2+ MolecularWeight: 350.43416

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=C1C[NH+]3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=C1C[NH+]3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O2/c1-22-19-11-10-17(24(25)26)14-18(19)21(16-8-4-2-5-9-16)20(22)15-23-12-6-3-7-13-23/h2,4-5,8-11,14H,3,6-7,12-13,15H2,1H3/p+1