N-(3-aminophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-aminophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-aminophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-aminophenyl)-2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-aminophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-aminophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide Formula: C20H27N4O+ MolecularWeight: 339.45458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O/c1-15-5-3-8-19(16(15)2)24-11-9-23(10-12-24)14-20(25)22-18-7-4-6-17(21)13-18/h3-8,13H,9-12,14,21H2,1-2H3,(H,22,25)/p+1