[1-[(4-methoxyphenyl)methyl]-1,2,3-triazol-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: [1-[(4-methoxyphenyl)methyl]-1,2,3-triazol-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [1-[(4-methoxyphenyl)methyl]triazol-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [1-[(4-methoxyphenyl)methyl]-4-triazolyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [1-[(4-methoxyphenyl)methyl]triazol-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (1-p-anisyltriazol-4-yl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C20H23N6O2+ MolecularWeight: 379.43562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C=C(N=N2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

COC1=CC=C(C=C1)CN2C=C(N=N2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H22N6O2/c1-28-17-7-5-16(6-8-17)14-26-15-18(22-23-26)20(27)25-12-10-24(11-13-25)19-4-2-3-9-21-19/h2-9,15H,10-14H2,1H3/p+1