[(1S)-2-azaniumyl-1-pyridin-3-yl-ethyl]-methyl-[(4-methylphenyl)methyl]azanium

Systemtic Name: [(1S)-2-azaniumyl-1-pyridin-3-yl-ethyl]-methyl-[(4-methylphenyl)methyl]azanium Openeye Name: [(1S)-2-azaniumyl-1-(3-pyridyl)ethyl]-methyl-(p-tolylmethyl)ammonium CAS Name: [(1S)-2-ammonio-1-(3-pyridinyl)ethyl]-methyl-[(4-methylphenyl)methyl]ammonium IUPAC Name: [(1S)-2-azaniumyl-1-pyridin-3-ylethyl]-methyl-[(4-methylphenyl)methyl]azanium Traditional Name: [(1S)-2-ammonio-1-(3-pyridyl)ethyl]-methyl-(4-methylbenzyl)ammonium Formula: C16H23N3+2 MolecularWeight: 257.37392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+](C)C(C[NH3+])C2=CN=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+](C)[C@H](C[NH3+])C2=CN=CC=C2

InChI

InChI=1S/C16H21N3/c1-13-5-7-14(8-6-13)12-19(2)16(10-17)15-4-3-9-18-11-15/h3-9,11,16H,10,12,17H2,1-2H3/p+2/t16-/m1/s1