[(2S)-1-[(4-tert-butylphenyl)methyl]piperidin-1-ium-2-yl]methylazanium

Systemtic Name: [(2S)-1-[(4-tert-butylphenyl)methyl]piperidin-1-ium-2-yl]methylazanium Openeye Name: [(2S)-1-[(4-tert-butylphenyl)methyl]piperidin-1-ium-2-yl]methylammonium CAS Name: [(2S)-1-[(4-tert-butylphenyl)methyl]-2-piperidin-1-iumyl]methylammonium IUPAC Name: [(2S)-1-[(4-tert-butylphenyl)methyl]piperidin-1-ium-2-yl]methylazanium Traditional Name: [(2S)-1-(4-tert-butylbenzyl)piperidin-1-ium-2-yl]methylammonium Formula: C17H30N2+2 MolecularWeight: 262.4335

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C[NH+]2CCCCC2C[NH3+]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C[NH+]2CCCC[C@H]2C[NH3+]

InChI

InChI=1S/C17H28N2/c1-17(2,3)15-9-7-14(8-10-15)13-19-11-5-4-6-16(19)12-18/h7-10,16H,4-6,11-13,18H2,1-3H3/p+2/t16-/m0/s1