methyl 4-[(S)-benzotriazol-1-yl(piperidin-1-ium-1-yl)methyl]benzoate

Systemtic Name: methyl 4-[(S)-benzotriazol-1-yl(piperidin-1-ium-1-yl)methyl]benzoate Openeye Name: methyl 4-[(S)-benzotriazol-1-yl(piperidin-1-ium-1-yl)methyl]benzoate CAS Name: 4-[(S)-1-benzotriazolyl(1-piperidin-1-iumyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(S)-benzotriazol-1-yl(piperidin-1-ium-1-yl)methyl]benzoate Traditional Name: 4-[(S)-benzotriazol-1-yl(piperidin-1-ium-1-yl)methyl]benzoic acid methyl ester Formula: C20H23N4O2+ MolecularWeight: 351.42222

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C([NH+]2CCCCC2)N3C4=CC=CC=C4N=N3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)[C@@H]([NH+]2CCCCC2)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H22N4O2/c1-26-20(25)16-11-9-15(10-12-16)19(23-13-5-2-6-14-23)24-18-8-4-3-7-17(18)21-22-24/h3-4,7-12,19H,2,5-6,13-14H2,1H3/p+1/t19-/m0/s1