3-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]-N-methyl-benzamide

Systemtic Name: 3-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]-N-methyl-benzamide Openeye Name: 3-[[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-N-methyl-benzamide CAS Name: 3-[[2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-N-methylbenzamide IUPAC Name: 3-[[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-N-methylbenzamide Traditional Name: 3-[[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-N-methyl-benzamide Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3/c1-22-21(27)16-4-3-5-17(14-16)23-20(26)15-24-10-12-25(13-11-24)18-6-8-19(28-2)9-7-18/h3-9,14H,10-13,15H2,1-2H3,(H,22,27)(H,23,26)/p+1