(3S,5S)-1-[4-(4-tert-butylphenoxy)butyl]-3,5-dimethyl-piperidin-1-ium

Systemtic Name: (3S,5S)-1-[4-(4-tert-butylphenoxy)butyl]-3,5-dimethyl-piperidin-1-ium Openeye Name: (3S,5S)-1-[4-(4-tert-butylphenoxy)butyl]-3,5-dimethyl-piperidin-1-ium CAS Name: (3S,5S)-1-[4-(4-tert-butylphenoxy)butyl]-3,5-dimethylpiperidin-1-ium IUPAC Name: (3S,5S)-1-[4-(4-tert-butylphenoxy)butyl]-3,5-dimethylpiperidin-1-ium Traditional Name: (3S,5S)-1-[4-(4-tert-butylphenoxy)butyl]-3,5-dimethyl-piperidin-1-ium Formula: C21H36NO+ MolecularWeight: 318.51664

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CCCCOC2=CC=C(C=C2)C(C)(C)C)C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)CCCCOC2=CC=C(C=C2)C(C)(C)C)C

InChI

InChI=1S/C21H35NO/c1-17-14-18(2)16-22(15-17)12-6-7-13-23-20-10-8-19(9-11-20)21(3,4)5/h8-11,17-18H,6-7,12-16H2,1-5H3/p+1/t17-,18-/m0/s1