5-[(3S,5S)-3,5-dimethylpiperazin-4-ium-1-yl]-N-[2-(2-methylphenoxy)ethyl]-2-nitro-aniline

Systemtic Name: 5-[(3S,5S)-3,5-dimethylpiperazin-4-ium-1-yl]-N-[2-(2-methylphenoxy)ethyl]-2-nitro-aniline Openeye Name: 5-[(3S,5S)-3,5-dimethylpiperazin-4-ium-1-yl]-N-[2-(2-methylphenoxy)ethyl]-2-nitro-aniline CAS Name: 5-[(3S,5S)-3,5-dimethyl-1-piperazin-4-iumyl]-N-[2-(2-methylphenoxy)ethyl]-2-nitroaniline IUPAC Name: 5-[(3S,5S)-3,5-dimethylpiperazin-4-ium-1-yl]-N-[2-(2-methylphenoxy)ethyl]-2-nitroaniline Traditional Name: [5-[(3S,5S)-3,5-dimethylpiperazin-4-ium-1-yl]-2-nitro-phenyl]-[2-(2-methylphenoxy)ethyl]amine Formula: C21H29N4O3+ MolecularWeight: 385.47996

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC([NH2+]1)C)C2=CC(=C(C=C2)[N+](=O)[O-])NCCOC3=CC=CC=C3C

Isomeric SMILES

C[C@H]1CN(C[C@@H]([NH2+]1)C)C2=CC(=C(C=C2)[N+](=O)[O-])NCCOC3=CC=CC=C3C

InChI

InChI=1S/C21H28N4O3/c1-15-6-4-5-7-21(15)28-11-10-22-19-12-18(8-9-20(19)25(26)27)24-13-16(2)23-17(3)14-24/h4-9,12,16-17,22-23H,10-11,13-14H2,1-3H3/p+1/t16-,17-/m0/s1