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

Systemtic Name: 5-[(3S,5S)-3,5-dimethylpiperazin-4-ium-1-yl]-N-[2-(4-ethylphenoxy)ethyl]-2-nitro-aniline Openeye Name: 5-[(3S,5S)-3,5-dimethylpiperazin-4-ium-1-yl]-N-[2-(4-ethylphenoxy)ethyl]-2-nitro-aniline CAS Name: 5-[(3S,5S)-3,5-dimethyl-1-piperazin-4-iumyl]-N-[2-(4-ethylphenoxy)ethyl]-2-nitroaniline IUPAC Name: 5-[(3S,5S)-3,5-dimethylpiperazin-4-ium-1-yl]-N-[2-(4-ethylphenoxy)ethyl]-2-nitroaniline Traditional Name: [5-[(3S,5S)-3,5-dimethylpiperazin-4-ium-1-yl]-2-nitro-phenyl]-[2-(4-ethylphenoxy)ethyl]amine Formula: C22H31N4O3+ MolecularWeight: 399.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCCNC2=C(C=CC(=C2)N3CC([NH2+]C(C3)C)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)OCCNC2=C(C=CC(=C2)N3C[C@@H]([NH2+][C@H](C3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H30N4O3/c1-4-18-5-8-20(9-6-18)29-12-11-23-21-13-19(7-10-22(21)26(27)28)25-14-16(2)24-17(3)15-25/h5-10,13,16-17,23-24H,4,11-12,14-15H2,1-3H3/p+1/t16-,17-/m0/s1