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

Systemtic Name: 2-azaniumylethyl-[(2S)-butan-2-yl]-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: 2-azaniumylethyl-[(4-isopropylphenyl)methyl]-[(1S)-1-methylpropyl]ammonium CAS Name: 2-ammonioethyl-[(2S)-butan-2-yl]-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: 2-azaniumylethyl-[(2S)-butan-2-yl]-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: 2-ammonioethyl-(4-isopropylbenzyl)-[(1S)-1-methylpropyl]ammonium Formula: C16H30N2+2 MolecularWeight: 250.4228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H28N2/c1-5-14(4)18(11-10-17)12-15-6-8-16(9-7-15)13(2)3/h6-9,13-14H,5,10-12,17H2,1-4H3/p+2/t14-/m0/s1