1-[(S)-(4-methoxyphenyl)-piperidin-1-ium-1-yl-methyl]benzotriazole

Systemtic Name: 1-[(S)-(4-methoxyphenyl)-piperidin-1-ium-1-yl-methyl]benzotriazole Openeye Name: 1-[(S)-(4-methoxyphenyl)-piperidin-1-ium-1-yl-methyl]benzotriazole CAS Name: 1-[(S)-(4-methoxyphenyl)-(1-piperidin-1-iumyl)methyl]benzotriazole IUPAC Name: 1-[(S)-(4-methoxyphenyl)-piperidin-1-ium-1-ylmethyl]benzotriazole Traditional Name: 1-[(S)-(4-methoxyphenyl)-piperidin-1-ium-1-yl-methyl]benzotriazole Formula: C19H23N4O+ MolecularWeight: 323.41212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C([NH+]2CCCCC2)N3C4=CC=CC=C4N=N3

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]([NH+]2CCCCC2)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C19H22N4O/c1-24-16-11-9-15(10-12-16)19(22-13-5-2-6-14-22)23-18-8-4-3-7-17(18)20-21-23/h3-4,7-12,19H,2,5-6,13-14H2,1H3/p+1/t19-/m0/s1