N-(3,5-dimethylphenyl)-3-piperazin-4-ium-1-yl-benzamide

Systemtic Name: N-(3,5-dimethylphenyl)-3-piperazin-4-ium-1-yl-benzamide Openeye Name: N-(3,5-dimethylphenyl)-3-piperazin-4-ium-1-yl-benzamide CAS Name: N-(3,5-dimethylphenyl)-3-(1-piperazin-4-iumyl)benzamide IUPAC Name: N-(3,5-dimethylphenyl)-3-piperazin-4-ium-1-ylbenzamide Traditional Name: N-(3,5-dimethylphenyl)-3-piperazin-4-ium-1-yl-benzamide Formula: C19H24N3O+ MolecularWeight: 310.41336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=CC(=CC=C2)N3CC[NH2+]CC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=CC(=CC=C2)N3CC[NH2+]CC3)C

InChI

InChI=1S/C19H23N3O/c1-14-10-15(2)12-17(11-14)21-19(23)16-4-3-5-18(13-16)22-8-6-20-7-9-22/h3-5,10-13,20H,6-9H2,1-2H3,(H,21,23)/p+1