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

Systemtic Name: (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(2-methyl-4-nitro-phenyl)propanamide Openeye Name: (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(2-methyl-4-nitro-phenyl)propanamide CAS Name: (2R)-2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-N-(2-methyl-4-nitrophenyl)propanamide IUPAC Name: (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(2-methyl-4-nitrophenyl)propanamide Traditional Name: (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(2-methyl-4-nitro-phenyl)propionamide Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O3/c1-15-6-5-7-21(17(15)3)25-12-10-24(11-13-25)18(4)22(27)23-20-9-8-19(26(28)29)14-16(20)2/h5-9,14,18H,10-13H2,1-4H3,(H,23,27)/p+1/t18-/m1/s1