3-methyl-4-[(3-methylphenyl)methyl]-1,4-diazoniabicyclo[2.2.2]octane-1-carboxamide

Systemtic Name: 3-methyl-4-[(3-methylphenyl)methyl]-1,4-diazoniabicyclo[2.2.2]octane-1-carboxamide Openeye Name: 3-methyl-4-(m-tolylmethyl)-1,4-diazoniabicyclo[2.2.2]octane-1-carboxamide CAS Name: 3-methyl-4-[(3-methylphenyl)methyl]-1,4-diazoniabicyclo[2.2.2]octane-1-carboxamide IUPAC Name: 3-methyl-4-[(3-methylphenyl)methyl]-1,4-diazoniabicyclo[2.2.2]octane-1-carboxamide Traditional Name: 3-methyl-4-(3-methylbenzyl)-1,4-diazoniabicyclo[2.2.2]octane-1-carboxamide Formula: C16H25N3O+2 MolecularWeight: 275.3892

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[N+]2(CC[N+]1(CC2)CC3=CC=CC(=C3)C)C(=O)N

Isomeric SMILES

CC1C[N+]2(CC[N+]1(CC2)CC3=CC=CC(=C3)C)C(=O)N

InChI

InChI=1S/C16H24N3O/c1-13-4-3-5-15(10-13)12-18-6-8-19(9-7-18,16(17)20)11-14(18)2/h3-5,10,14H,6-9,11-12H2,1-2H3,(H-,17,20)/q+1/p+1