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

Systemtic Name: N-(3-azanyl-4-methyl-phenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-amino-4-methyl-phenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-amino-4-methylphenyl)-2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-amino-4-methylphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-amino-4-methyl-phenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide Formula: C21H29N4O+ MolecularWeight: 353.48116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O/c1-15-5-4-6-20(17(15)3)25-11-9-24(10-12-25)14-21(26)23-18-8-7-16(2)19(22)13-18/h4-8,13H,9-12,14,22H2,1-3H3,(H,23,26)/p+1