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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=C1C[NH+]3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=C1C[NH+]3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C20H21N3O2/c1-21-18-10-9-16(23(24)25)13-17(18)20(15-7-3-2-4-8-15)19(21)14-22-11-5-6-12-22/h2-4,7-10,13H,5-6,11-12,14H2,1H3/p+1