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

Systemtic Name: methyl 3-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4/c1-16-7-8-17(22(27)29-3)13-20(16)23-21(26)15-24-9-11-25(12-10-24)18-5-4-6-19(14-18)28-2/h4-8,13-14H,9-12,15H2,1-3H3,(H,23,26)/p+1