methyl 4-[2-[4-(3-methyl-1H-imidazol-2-ylidene)piperazin-4-ium-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[4-(3-methyl-1H-imidazol-2-ylidene)piperazin-4-ium-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[4-(3-methyl-1H-imidazol-2-ylidene)piperazin-4-ium-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-(3-methyl-1H-imidazol-2-ylidene)-1-piperazin-4-iumyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(3-methyl-1H-imidazol-2-ylidene)piperazin-4-ium-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(1-methyl-4-imidazolin-2-ylidene)piperazin-4-ium-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C18H24N5O3+ MolecularWeight: 358.41486

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CNC1=[N+]2CCN(CC2)CC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN1C=CNC1=[N+]2CCN(CC2)CC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H23N5O3/c1-21-8-7-19-18(21)23-11-9-22(10-12-23)13-16(24)20-15-5-3-14(4-6-15)17(25)26-2/h3-8H,9-13H2,1-2H3,(H,20,24,25)/p+1