(2-iodanyl-5-nitro-phenyl)-[1-[[(2S)-1-methylpiperidin-1-ium-2-yl]methyl]indol-3-yl]methanone

Systemtic Name: (2-iodanyl-5-nitro-phenyl)-[1-[[(2S)-1-methylpiperidin-1-ium-2-yl]methyl]indol-3-yl]methanone Openeye Name: (2-iodo-5-nitro-phenyl)-[1-[[(2S)-1-methylpiperidin-1-ium-2-yl]methyl]indol-3-yl]methanone CAS Name: (2-iodo-5-nitrophenyl)-[1-[[(2S)-1-methyl-2-piperidin-1-iumyl]methyl]-3-indolyl]methanone IUPAC Name: (2-iodo-5-nitrophenyl)-[1-[[(2S)-1-methylpiperidin-1-ium-2-yl]methyl]indol-3-yl]methanone Traditional Name: (2-iodo-5-nitro-phenyl)-[1-[[(2S)-1-methylpiperidin-1-ium-2-yl]methyl]indol-3-yl]methanone Formula: C22H23IN3O3+ MolecularWeight: 504.34079

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCCC1CN2C=C(C3=CC=CC=C32)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])I

Isomeric SMILES

C[NH+]1CCCC[C@H]1CN2C=C(C3=CC=CC=C32)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])I

InChI

InChI=1S/C22H22IN3O3/c1-24-11-5-4-6-16(24)13-25-14-19(17-7-2-3-8-21(17)25)22(27)18-12-15(26(28)29)9-10-20(18)23/h2-3,7-10,12,14,16H,4-6,11,13H2,1H3/p+1/t16-/m0/s1