2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-N-[(4-methoxyphenyl)methyl]ethanamide

Systemtic Name: 2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-N-[(4-methoxyphenyl)methyl]ethanamide Openeye Name: 2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide CAS Name: 2-[4-(1-benzotriazolyl)-1-piperidin-1-iumyl]-N-[(4-methoxyphenyl)methyl]acetamide IUPAC Name: 2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide Traditional Name: 2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-N-p-anisyl-acetamide Formula: C21H26N5O2+ MolecularWeight: 380.46344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C[NH+]2CCC(CC2)N3C4=CC=CC=C4N=N3

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)C[NH+]2CCC(CC2)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H25N5O2/c1-28-18-8-6-16(7-9-18)14-22-21(27)15-25-12-10-17(11-13-25)26-20-5-3-2-4-19(20)23-24-26/h2-9,17H,10-15H2,1H3,(H,22,27)/p+1