2-[4-[2-(2-methoxy-5-methyl-phenyl)ethanoyl]piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-[2-(2-methoxy-5-methyl-phenyl)ethanoyl]piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-[2-(2-methoxy-5-methyl-phenyl)acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[2-(2-methoxy-5-methylphenyl)-1-oxoethyl]-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-[2-(2-methoxy-5-methylphenyl)acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[2-(2-methoxy-5-methyl-phenyl)acetyl]piperazin-1-ium-1-yl]acetamide Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CC(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CC(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O3/c1-18-8-9-21(29-2)20(14-18)15-23(28)26-12-10-25(11-13-26)17-22(27)24-16-19-6-4-3-5-7-19/h3-9,14H,10-13,15-17H2,1-2H3,(H,24,27)/p+1