1-(3-methylphenyl)-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,3,4-tetrazole

Systemtic Name: 1-(3-methylphenyl)-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,3,4-tetrazole Openeye Name: 1-(m-tolyl)-5-(pyrrolidin-1-ium-1-ylmethyl)tetrazole CAS Name: 1-(3-methylphenyl)-5-(1-pyrrolidin-1-iumylmethyl)tetrazole IUPAC Name: 1-(3-methylphenyl)-5-(pyrrolidin-1-ium-1-ylmethyl)tetrazole Traditional Name: 1-(m-tolyl)-5-(pyrrolidin-1-ium-1-ylmethyl)tetrazole Formula: C13H18N5+ MolecularWeight: 244.31552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=N2)C[NH+]3CCCC3

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=N2)C[NH+]3CCCC3

InChI

InChI=1S/C13H17N5/c1-11-5-4-6-12(9-11)18-13(14-15-16-18)10-17-7-2-3-8-17/h4-6,9H,2-3,7-8,10H2,1H3/p+1