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

Systemtic Name: (1-cyclohexyl-1,2,3-triazol-4-yl)-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (1-cyclohexyltriazol-4-yl)-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (1-cyclohexyl-4-triazolyl)-[4-[(3-methoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (1-cyclohexyltriazol-4-yl)-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (1-cyclohexyltriazol-4-yl)-(4-m-anisylpiperazin-4-ium-1-yl)methanone Formula: C21H30N5O2+ MolecularWeight: 384.4952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCN(CC2)C(=O)C3=CN(N=N3)C4CCCCC4

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCN(CC2)C(=O)C3=CN(N=N3)C4CCCCC4

InChI

InChI=1S/C21H29N5O2/c1-28-19-9-5-6-17(14-19)15-24-10-12-25(13-11-24)21(27)20-16-26(23-22-20)18-7-3-2-4-8-18/h5-6,9,14,16,18H,2-4,7-8,10-13,15H2,1H3/p+1