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

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-(2-naphthalen-1-ylethanoyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-[2-(1-naphthyl)acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[2-(1-naphthalenyl)-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-(2-naphthalen-1-ylacetyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-[2-(1-naphthyl)acetyl]piperazin-1-ium-1-yl]acetamide Formula: C26H30N3O2+ MolecularWeight: 416.5353

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CC3=CC=CC4=CC=CC=C43)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CC3=CC=CC4=CC=CC=C43)C

InChI

InChI=1S/C26H29N3O2/c1-19-7-5-12-24(20(19)2)27-25(30)18-28-13-15-29(16-14-28)26(31)17-22-10-6-9-21-8-3-4-11-23(21)22/h3-12H,13-18H2,1-2H3,(H,27,30)/p+1