2-azaniumylethyl-[(2S)-butan-2-yl]-[(3-chlorophenyl)methyl]azanium

Systemtic Name: 2-azaniumylethyl-[(2S)-butan-2-yl]-[(3-chlorophenyl)methyl]azanium Openeye Name: 2-azaniumylethyl-[(3-chlorophenyl)methyl]-[(1S)-1-methylpropyl]ammonium CAS Name: 2-ammonioethyl-[(2S)-butan-2-yl]-[(3-chlorophenyl)methyl]ammonium IUPAC Name: 2-azaniumylethyl-[(2S)-butan-2-yl]-[(3-chlorophenyl)methyl]azanium Traditional Name: 2-ammonioethyl-(3-chlorobenzyl)-[(1S)-1-methylpropyl]ammonium Formula: C13H23ClN2+2 MolecularWeight: 242.78812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21ClN2/c1-3-11(2)16(8-7-15)10-12-5-4-6-13(14)9-12/h4-6,9,11H,3,7-8,10,15H2,1-2H3/p+2/t11-/m0/s1