N-(2,6-dimethylphenyl)-2-[4-(3-ethoxynaphthalen-2-yl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-(3-ethoxynaphthalen-2-yl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-(3-ethoxynaphthalene-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[(3-ethoxy-2-naphthalenyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-(3-ethoxynaphthalene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-(3-ethoxy-2-naphthoyl)piperazin-1-ium-1-yl]acetamide Formula: C27H32N3O3+ MolecularWeight: 446.56128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=CC=CC=C2C=C1C(=O)N3CC[NH+](CC3)CC(=O)NC4=C(C=CC=C4C)C

Isomeric SMILES

CCOC1=CC2=CC=CC=C2C=C1C(=O)N3CC[NH+](CC3)CC(=O)NC4=C(C=CC=C4C)C

InChI

InChI=1S/C27H31N3O3/c1-4-33-24-17-22-11-6-5-10-21(22)16-23(24)27(32)30-14-12-29(13-15-30)18-25(31)28-26-19(2)8-7-9-20(26)3/h5-11,16-17H,4,12-15,18H2,1-3H3,(H,28,31)/p+1