(4-cyclopentylpiperazin-4-ium-1-yl)-[1-[(2-methylphenyl)methyl]-1,2,3-triazol-4-yl]methanone

Systemtic Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[1-[(2-methylphenyl)methyl]-1,2,3-triazol-4-yl]methanone Openeye Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[1-(o-tolylmethyl)triazol-4-yl]methanone CAS Name: (4-cyclopentyl-1-piperazin-4-iumyl)-[1-[(2-methylphenyl)methyl]-4-triazolyl]methanone IUPAC Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[1-[(2-methylphenyl)methyl]triazol-4-yl]methanone Traditional Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[1-(2-methylbenzyl)triazol-4-yl]methanone Formula: C20H28N5O+ MolecularWeight: 354.46922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=C(N=N2)C(=O)N3CC[NH+](CC3)C4CCCC4

Isomeric SMILES

CC1=CC=CC=C1CN2C=C(N=N2)C(=O)N3CC[NH+](CC3)C4CCCC4

InChI

InChI=1S/C20H27N5O/c1-16-6-2-3-7-17(16)14-25-15-19(21-22-25)20(26)24-12-10-23(11-13-24)18-8-4-5-9-18/h2-3,6-7,15,18H,4-5,8-14H2,1H3/p+1