N-[2-(2,4-dimethylphenoxy)ethyl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[2-(2,4-dimethylphenoxy)ethyl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[2-(2,4-dimethylphenoxy)ethyl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[2-(2,4-dimethylphenoxy)ethyl]-2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(2,4-dimethylphenoxy)ethyl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[2-(2,4-dimethylphenoxy)ethyl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C23H32N3O3+ MolecularWeight: 398.51848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCNC(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCCNC(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)OC)C

InChI

InChI=1S/C23H31N3O3/c1-18-7-8-22(19(2)15-18)29-14-9-24-23(27)17-25-10-12-26(13-11-25)20-5-4-6-21(16-20)28-3/h4-8,15-16H,9-14,17H2,1-3H3,(H,24,27)/p+1