[(2S)-2-(4-tert-butylphenyl)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]ethyl]azanium

Systemtic Name: [(2S)-2-(4-tert-butylphenyl)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]ethyl]azanium Openeye Name: [(2S)-2-(4-tert-butylphenyl)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]ethyl]ammonium CAS Name: [(2S)-2-(4-tert-butylphenyl)-2-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]ethyl]ammonium IUPAC Name: [(2S)-2-(4-tert-butylphenyl)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]ethyl]azanium Traditional Name: [(2S)-2-(4-tert-butylphenyl)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]ethyl]ammonium Formula: C19H35N3+2 MolecularWeight: 305.5013

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(C[NH3+])N(C)C2CC[NH+](CC2)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[C@@H](C[NH3+])N(C)C2CC[NH+](CC2)C

InChI

InChI=1S/C19H33N3/c1-19(2,3)16-8-6-15(7-9-16)18(14-20)22(5)17-10-12-21(4)13-11-17/h6-9,17-18H,10-14,20H2,1-5H3/p+2/t18-/m1/s1