5-[(3R,5R)-3,5-dimethylpiperazin-4-ium-1-yl]-2-nitro-N-(2-phenoxyethyl)aniline

Systemtic Name: 5-[(3R,5R)-3,5-dimethylpiperazin-4-ium-1-yl]-2-nitro-N-(2-phenoxyethyl)aniline Openeye Name: 5-[(3R,5R)-3,5-dimethylpiperazin-4-ium-1-yl]-2-nitro-N-(2-phenoxyethyl)aniline CAS Name: 5-[(3R,5R)-3,5-dimethyl-1-piperazin-4-iumyl]-2-nitro-N-(2-phenoxyethyl)aniline IUPAC Name: 5-[(3R,5R)-3,5-dimethylpiperazin-4-ium-1-yl]-2-nitro-N-(2-phenoxyethyl)aniline Traditional Name: [5-[(3R,5R)-3,5-dimethylpiperazin-4-ium-1-yl]-2-nitro-phenyl]-(2-phenoxyethyl)amine Formula: C20H27N4O3+ MolecularWeight: 371.45338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC([NH2+]1)C)C2=CC(=C(C=C2)[N+](=O)[O-])NCCOC3=CC=CC=C3

Isomeric SMILES

C[C@@H]1CN(C[C@H]([NH2+]1)C)C2=CC(=C(C=C2)[N+](=O)[O-])NCCOC3=CC=CC=C3

InChI

InChI=1S/C20H26N4O3/c1-15-13-23(14-16(2)22-15)17-8-9-20(24(25)26)19(12-17)21-10-11-27-18-6-4-3-5-7-18/h3-9,12,15-16,21-22H,10-11,13-14H2,1-2H3/p+1/t15-,16-/m1/s1