[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-1-ium-3-yl]azanium

Systemtic Name: [(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-1-ium-3-yl]azanium Openeye Name: [(3S)-1-[(4-isobutylphenyl)methyl]piperidin-1-ium-3-yl]ammonium CAS Name: [(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]-3-piperidin-1-iumyl]ammonium IUPAC Name: [(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-1-ium-3-yl]azanium Traditional Name: [(3S)-1-(4-isobutylbenzyl)piperidin-1-ium-3-yl]ammonium Formula: C16H28N2+2 MolecularWeight: 248.40692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C[NH+]2CCCC(C2)[NH3+]

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C[NH+]2CCC[C@@H](C2)[NH3+]

InChI

InChI=1S/C16H26N2/c1-13(2)10-14-5-7-15(8-6-14)11-18-9-3-4-16(17)12-18/h5-8,13,16H,3-4,9-12,17H2,1-2H3/p+2/t16-/m0/s1