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

Systemtic Name: 3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl-[(1S)-1-phenylpropyl]azanium Openeye Name: 3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl-[(1S)-1-phenylpropyl]ammonium CAS Name: 3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl-[(1S)-1-phenylpropyl]ammonium IUPAC Name: 3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl-[(1S)-1-phenylpropyl]azanium Traditional Name: 3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl-[(1S)-1-phenylpropyl]ammonium Formula: C18H32N2+2 MolecularWeight: 276.46008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2/c1-3-18(17-11-5-4-6-12-17)19-13-9-15-20-14-8-7-10-16(20)2/h4-6,11-12,16,18-19H,3,7-10,13-15H2,1-2H3/p+2/t16-,18-/m0/s1