methyl 4-[5-methyl-4-[[4-(6-methylpyridin-2-yl)piperazin-1-ium-1-yl]methyl]-1,3-oxazol-2-yl]benzoate

Systemtic Name: methyl 4-[5-methyl-4-[[4-(6-methylpyridin-2-yl)piperazin-1-ium-1-yl]methyl]-1,3-oxazol-2-yl]benzoate Openeye Name: methyl 4-[5-methyl-4-[[4-(6-methyl-2-pyridyl)piperazin-1-ium-1-yl]methyl]oxazol-2-yl]benzoate CAS Name: 4-[5-methyl-4-[[4-(6-methyl-2-pyridinyl)-1-piperazin-1-iumyl]methyl]-2-oxazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-methyl-4-[[4-(6-methylpyridin-2-yl)piperazin-1-ium-1-yl]methyl]-1,3-oxazol-2-yl]benzoate Traditional Name: 4-[5-methyl-4-[[4-(6-methyl-2-pyridyl)piperazin-1-ium-1-yl]methyl]oxazol-2-yl]benzoic acid methyl ester Formula: C23H27N4O3+ MolecularWeight: 407.48548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)N2CC[NH+](CC2)CC3=C(OC(=N3)C4=CC=C(C=C4)C(=O)OC)C

Isomeric SMILES

CC1=NC(=CC=C1)N2CC[NH+](CC2)CC3=C(OC(=N3)C4=CC=C(C=C4)C(=O)OC)C

InChI

InChI=1S/C23H26N4O3/c1-16-5-4-6-21(24-16)27-13-11-26(12-14-27)15-20-17(2)30-22(25-20)18-7-9-19(10-8-18)23(28)29-3/h4-10H,11-15H2,1-3H3/p+1