2-methyl-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1H-indole

Systemtic Name: 2-methyl-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1H-indole Openeye Name: 2-methyl-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1H-indole CAS Name: 2-methyl-3-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-1H-indole IUPAC Name: 2-methyl-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1H-indole Traditional Name: 2-methyl-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1H-indole Formula: C20H23N4O2+ MolecularWeight: 351.42222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O2/c1-15-19(18-4-2-3-5-20(18)21-15)14-22-10-12-23(13-11-22)16-6-8-17(9-7-16)24(25)26/h2-9,21H,10-14H2,1H3/p+1