dimethyl-[3-[[(2S)-2-phenylpropyl]-(pyridin-2-ylmethyl)azaniumyl]propyl]azanium

Systemtic Name: dimethyl-[3-[[(2S)-2-phenylpropyl]-(pyridin-2-ylmethyl)azaniumyl]propyl]azanium Openeye Name: dimethyl-[3-[[(2S)-2-phenylpropyl]-(2-pyridylmethyl)ammonio]propyl]ammonium CAS Name: dimethyl-[3-[[(2S)-2-phenylpropyl]-(2-pyridinylmethyl)ammonio]propyl]ammonium IUPAC Name: dimethyl-[3-[[(2S)-2-phenylpropyl]-(pyridin-2-ylmethyl)azaniumyl]propyl]azanium Traditional Name: dimethyl-[3-[[(2S)-2-phenylpropyl]-(2-pyridylmethyl)ammonio]propyl]ammonium Formula: C20H31N3+2 MolecularWeight: 313.48024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+](CCC[NH+](C)C)CC1=CC=CC=N1)C2=CC=CC=C2

Isomeric SMILES

C[C@H](C[NH+](CCC[NH+](C)C)CC1=CC=CC=N1)C2=CC=CC=C2

InChI

InChI=1S/C20H29N3/c1-18(19-10-5-4-6-11-19)16-23(15-9-14-22(2)3)17-20-12-7-8-13-21-20/h4-8,10-13,18H,9,14-17H2,1-3H3/p+2/t18-/m1/s1