1-[3-(4-tert-butylphenyl)-2-methyl-propyl]-3-ethyl-1-oxidanidyl-piperidin-1-ium

Systemtic Name: 1-[3-(4-tert-butylphenyl)-2-methyl-propyl]-3-ethyl-1-oxidanidyl-piperidin-1-ium Openeye Name: 1-[3-(4-tert-butylphenyl)-2-methyl-propyl]-3-ethyl-1-oxido-piperidin-1-ium CAS Name: 1-[3-(4-tert-butylphenyl)-2-methylpropyl]-3-ethyl-1-oxidopiperidin-1-ium IUPAC Name: 1-[3-(4-tert-butylphenyl)-2-methylpropyl]-3-ethyl-1-oxidopiperidin-1-ium Traditional Name: 1-[3-(4-tert-butylphenyl)-2-methyl-propyl]-3-ethyl-1-oxido-piperidin-1-ium Formula: C21H35NO MolecularWeight: 317.5087

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC[N+](C1)(CC(C)CC2=CC=C(C=C2)C(C)(C)C)[O-]

Isomeric SMILES

CCC1CCC[N+](C1)(CC(C)CC2=CC=C(C=C2)C(C)(C)C)[O-]

InChI

InChI=1S/C21H35NO/c1-6-18-8-7-13-22(23,16-18)15-17(2)14-19-9-11-20(12-10-19)21(3,4)5/h9-12,17-18H,6-8,13-16H2,1-5H3