3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl-[(1S)-1-phenylbutyl]azanium

Systemtic Name: 3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl-[(1S)-1-phenylbutyl]azanium Openeye Name: 3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl-[(1S)-1-phenylbutyl]ammonium CAS Name: 3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl-[(1S)-1-phenylbutyl]ammonium IUPAC Name: 3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl-[(1S)-1-phenylbutyl]azanium Traditional Name: 3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl-[(1S)-1-phenylbutyl]ammonium Formula: C19H34N2+2 MolecularWeight: 290.48666

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)[NH2+]CCC[NH+]2CCCCC2C

Isomeric SMILES

CCC[C@@H](C1=CC=CC=C1)[NH2+]CCC[NH+]2CCCC[C@@H]2C

InChI

InChI=1S/C19H32N2/c1-3-10-19(18-12-5-4-6-13-18)20-14-9-16-21-15-8-7-11-17(21)2/h4-6,12-13,17,19-20H,3,7-11,14-16H2,1-2H3/p+2/t17-,19-/m0/s1