N-(3,4-dimethylphenyl)-2-piperazin-4-ium-1-yl-benzamide

Systemtic Name: N-(3,4-dimethylphenyl)-2-piperazin-4-ium-1-yl-benzamide Openeye Name: N-(3,4-dimethylphenyl)-2-piperazin-4-ium-1-yl-benzamide CAS Name: N-(3,4-dimethylphenyl)-2-(1-piperazin-4-iumyl)benzamide IUPAC Name: N-(3,4-dimethylphenyl)-2-piperazin-4-ium-1-ylbenzamide Traditional Name: N-(3,4-dimethylphenyl)-2-piperazin-4-ium-1-yl-benzamide Formula: C19H24N3O+ MolecularWeight: 310.41336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2N3CC[NH2+]CC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2N3CC[NH2+]CC3)C

InChI

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