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

Systemtic Name: 5-nitro-3-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1H-indole Openeye Name: 5-nitro-3-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1H-indole CAS Name: 5-nitro-3-phenyl-2-(1-piperidin-1-iumylmethyl)-1H-indole IUPAC Name: 5-nitro-3-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1H-indole Traditional Name: 5-nitro-3-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1H-indole Formula: C20H22N3O2+ MolecularWeight: 336.40758

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C(C3=C(N2)C=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CC2=C(C3=C(N2)C=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C20H21N3O2/c24-23(25)16-9-10-18-17(13-16)20(15-7-3-1-4-8-15)19(21-18)14-22-11-5-2-6-12-22/h1,3-4,7-10,13,21H,2,5-6,11-12,14H2/p+1