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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCC[NH2+]CC(C)C2=CC=CC=C2

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCC[NH2+]C[C@@H](C)C2=CC=CC=C2

InChI

InChI=1S/C18H30N2/c1-16(18-10-4-3-5-11-18)15-19-12-8-14-20-13-7-6-9-17(20)2/h3-5,10-11,16-17,19H,6-9,12-15H2,1-2H3/p+2/t16-,17+/m1/s1