methyl 3-[2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methylbenzoate Traditional Name: 4-methyl-3-[[2-(4-o-phenetylpiperazin-1-ium-1-yl)acetyl]amino]benzoic acid methyl ester Formula: C23H30N3O4+ MolecularWeight: 412.502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)OC)C

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)OC)C

InChI

InChI=1S/C23H29N3O4/c1-4-30-21-8-6-5-7-20(21)26-13-11-25(12-14-26)16-22(27)24-19-15-18(23(28)29-3)10-9-17(19)2/h5-10,15H,4,11-14,16H2,1-3H3,(H,24,27)/p+1