(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(2-nitrophenyl)propanamide

Systemtic Name: (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(2-nitrophenyl)propanamide Openeye Name: (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(2-nitrophenyl)propanamide CAS Name: (2R)-2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-N-(2-nitrophenyl)propanamide IUPAC Name: (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(2-nitrophenyl)propanamide Traditional Name: (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(2-nitrophenyl)propionamide Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)C(C)C(=O)NC3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)[C@H](C)C(=O)NC3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C21H26N4O3/c1-15-7-6-10-19(16(15)2)24-13-11-23(12-14-24)17(3)21(26)22-18-8-4-5-9-20(18)25(27)28/h4-10,17H,11-14H2,1-3H3,(H,22,26)/p+1/t17-/m1/s1