methyl 1-[1-(phenylmethyl)piperidin-1-ium-4-yl]benzotriazole-5-carboxylate

Systemtic Name: methyl 1-[1-(phenylmethyl)piperidin-1-ium-4-yl]benzotriazole-5-carboxylate Openeye Name: methyl 1-(1-benzylpiperidin-1-ium-4-yl)benzotriazole-5-carboxylate CAS Name: 1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-5-benzotriazolecarboxylic acid methyl ester IUPAC Name: methyl 1-(1-benzylpiperidin-1-ium-4-yl)benzotriazole-5-carboxylate Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)benzotriazole-5-carboxylic acid methyl ester Formula: C20H23N4O2+ MolecularWeight: 351.42222

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(N=N2)C3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(N=N2)C3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C20H22N4O2/c1-26-20(25)16-7-8-19-18(13-16)21-22-24(19)17-9-11-23(12-10-17)14-15-5-3-2-4-6-15/h2-8,13,17H,9-12,14H2,1H3/p+1