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

Systemtic Name: [1-[1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]-1,2,3-triazol-4-yl]-pyrrolidin-1-yl-methanone Openeye Name: [1-[1-(m-tolylmethyl)piperidin-1-ium-4-yl]triazol-4-yl]-pyrrolidin-1-yl-methanone CAS Name: [1-[1-[(3-methylphenyl)methyl]-4-piperidin-1-iumyl]-4-triazolyl]-(1-pyrrolidinyl)methanone IUPAC Name: [1-[1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone Traditional Name: [1-[1-(3-methylbenzyl)piperidin-1-ium-4-yl]triazol-4-yl]-pyrrolidino-methanone Formula: C20H28N5O+ MolecularWeight: 354.46922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)N3C=C(N=N3)C(=O)N4CCCC4

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)N3C=C(N=N3)C(=O)N4CCCC4

InChI

InChI=1S/C20H27N5O/c1-16-5-4-6-17(13-16)14-23-11-7-18(8-12-23)25-15-19(21-22-25)20(26)24-9-2-3-10-24/h4-6,13,15,18H,2-3,7-12,14H2,1H3/p+1