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

Systemtic Name: [1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]-1,2,3-triazol-4-yl]-piperidin-1-yl-methanone Openeye Name: [1-[1-(o-tolylmethyl)piperidin-1-ium-4-yl]triazol-4-yl]-(1-piperidyl)methanone CAS Name: [1-[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]-4-triazolyl]-(1-piperidinyl)methanone IUPAC Name: [1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]triazol-4-yl]-piperidin-1-ylmethanone Traditional Name: [1-[1-(2-methylbenzyl)piperidin-1-ium-4-yl]triazol-4-yl]-piperidino-methanone Formula: C21H30N5O+ MolecularWeight: 368.4958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCC(CC2)N3C=C(N=N3)C(=O)N4CCCCC4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC(CC2)N3C=C(N=N3)C(=O)N4CCCCC4

InChI

InChI=1S/C21H29N5O/c1-17-7-3-4-8-18(17)15-24-13-9-19(10-14-24)26-16-20(22-23-26)21(27)25-11-5-2-6-12-25/h3-4,7-8,16,19H,2,5-6,9-15H2,1H3/p+1