2-[4-(3-ethoxynaphthalen-2-yl)carbonylpiperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=CC=CC=C4C=C3OCC

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=CC=CC=C4C=C3OCC

InChI

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