methyl 2-[[3-[4-(2,6-dimethylpyridin-1-ium-4-yl)piperazin-1-yl]carbonylphenyl]amino]ethanoate

Systemtic Name: methyl 2-[[3-[4-(2,6-dimethylpyridin-1-ium-4-yl)piperazin-1-yl]carbonylphenyl]amino]ethanoate Openeye Name: methyl 2-[3-[4-(2,6-dimethylpyridin-1-ium-4-yl)piperazine-1-carbonyl]anilino]acetate CAS Name: 2-[3-[[4-(2,6-dimethyl-4-pyridin-1-iumyl)-1-piperazinyl]-oxomethyl]anilino]acetic acid methyl ester IUPAC Name: methyl 2-[3-[4-(2,6-dimethylpyridin-1-ium-4-yl)piperazine-1-carbonyl]anilino]acetate Traditional Name: 2-[3-[4-(2,6-dimethylpyridin-1-ium-4-yl)piperazine-1-carbonyl]anilino]acetic acid methyl ester Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[NH+]1)C)N2CCN(CC2)C(=O)C3=CC(=CC=C3)NCC(=O)OC

Isomeric SMILES

CC1=CC(=CC(=[NH+]1)C)N2CCN(CC2)C(=O)C3=CC(=CC=C3)NCC(=O)OC

InChI

InChI=1S/C21H26N4O3/c1-15-11-19(12-16(2)23-15)24-7-9-25(10-8-24)21(27)17-5-4-6-18(13-17)22-14-20(26)28-3/h4-6,11-13,22H,7-10,14H2,1-3H3/p+1