2-azaniumylethyl-[(2S)-butan-2-yl]-[(4-methylphenyl)methyl]azanium

Systemtic Name: 2-azaniumylethyl-[(2S)-butan-2-yl]-[(4-methylphenyl)methyl]azanium Openeye Name: 2-azaniumylethyl-[(1S)-1-methylpropyl]-(p-tolylmethyl)ammonium CAS Name: 2-ammonioethyl-[(2S)-butan-2-yl]-[(4-methylphenyl)methyl]ammonium IUPAC Name: 2-azaniumylethyl-[(2S)-butan-2-yl]-[(4-methylphenyl)methyl]azanium Traditional Name: 2-ammonioethyl-(4-methylbenzyl)-[(1S)-1-methylpropyl]ammonium Formula: C14H26N2+2 MolecularWeight: 222.36964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H24N2/c1-4-13(3)16(10-9-15)11-14-7-5-12(2)6-8-14/h5-8,13H,4,9-11,15H2,1-3H3/p+2/t13-/m0/s1