1-(1,2-dimethylindol-3-yl)-2-[4-[(4-nitrophenyl)methyl]piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(1,2-dimethylindol-3-yl)-2-[4-[(4-nitrophenyl)methyl]piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(1,2-dimethylindol-3-yl)-2-[4-[(4-nitrophenyl)methyl]piperazin-1-ium-1-yl]ethanone CAS Name: 1-(1,2-dimethyl-3-indolyl)-2-[4-[(4-nitrophenyl)methyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(1,2-dimethylindol-3-yl)-2-[4-[(4-nitrophenyl)methyl]piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(1,2-dimethylindol-3-yl)-2-[4-(4-nitrobenzyl)piperazin-1-ium-1-yl]ethanone Formula: C23H27N4O3+ MolecularWeight: 407.48548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1C)C(=O)C[NH+]3CCN(CC3)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1C)C(=O)C[NH+]3CCN(CC3)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H26N4O3/c1-17-23(20-5-3-4-6-21(20)24(17)2)22(28)16-26-13-11-25(12-14-26)15-18-7-9-19(10-8-18)27(29)30/h3-10H,11-16H2,1-2H3/p+1