methyl 4-[2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)-1-piperidin-1-iumyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C24H29N4O3+ MolecularWeight: 421.51206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(N2)C3CC[NH+](CC3)CC(=O)NC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(N2)C3CC[NH+](CC3)CC(=O)NC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C24H28N4O3/c1-15-12-20-21(13-16(15)2)27-23(26-20)17-8-10-28(11-9-17)14-22(29)25-19-6-4-18(5-7-19)24(30)31-3/h4-7,12-13,17H,8-11,14H2,1-3H3,(H,25,29)(H,26,27)/p+1