N-(2,3-dimethylphenyl)-2-[4-(3-methoxynaphthalen-2-yl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-(3-methoxynaphthalen-2-yl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-(3-methoxynaphthalene-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[(3-methoxy-2-naphthalenyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-(3-methoxynaphthalene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-(3-methoxy-2-naphthoyl)piperazin-1-ium-1-yl]acetamide Formula: C26H30N3O3+ MolecularWeight: 432.5347

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)C3=CC4=CC=CC=C4C=C3OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=CC=CC=C4C=C3OC)C

InChI

InChI=1S/C26H29N3O3/c1-18-7-6-10-23(19(18)2)27-25(30)17-28-11-13-29(14-12-28)26(31)22-15-20-8-4-5-9-21(20)16-24(22)32-3/h4-10,15-16H,11-14,17H2,1-3H3,(H,27,30)/p+1