1-(5-methoxy-1,2-dimethyl-indol-3-yl)-2-[4-[(4-nitrophenyl)methyl]piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(5-methoxy-1,2-dimethyl-indol-3-yl)-2-[4-[(4-nitrophenyl)methyl]piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(5-methoxy-1,2-dimethyl-indol-3-yl)-2-[4-[(4-nitrophenyl)methyl]piperazin-1-ium-1-yl]ethanone CAS Name: 1-(5-methoxy-1,2-dimethyl-3-indolyl)-2-[4-[(4-nitrophenyl)methyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(5-methoxy-1,2-dimethylindol-3-yl)-2-[4-[(4-nitrophenyl)methyl]piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(5-methoxy-1,2-dimethyl-indol-3-yl)-2-[4-(4-nitrobenzyl)piperazin-1-ium-1-yl]ethanone Formula: C24H29N4O4+ MolecularWeight: 437.51146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C)C=CC(=C2)OC)C(=O)C[NH+]3CCN(CC3)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C2=C(N1C)C=CC(=C2)OC)C(=O)C[NH+]3CCN(CC3)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H28N4O4/c1-17-24(21-14-20(32-3)8-9-22(21)25(17)2)23(29)16-27-12-10-26(11-13-27)15-18-4-6-19(7-5-18)28(30)31/h4-9,14H,10-13,15-16H2,1-3H3/p+1