N-(2-ethylphenyl)-2-[4-[4-(methoxymethyl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-[4-(methoxymethyl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[4-(methoxymethyl)benzoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[[4-(methoxymethyl)phenyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[4-(methoxymethyl)benzoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-[4-(methoxymethyl)benzoyl]piperazin-1-ium-1-yl]acetamide Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3/c1-3-19-6-4-5-7-21(19)24-22(27)16-25-12-14-26(15-13-25)23(28)20-10-8-18(9-11-20)17-29-2/h4-11H,3,12-17H2,1-2H3,(H,24,27)/p+1