methyl-(phenylmethyl)-[3-[[(1S)-1-pyridin-4-ylethyl]azaniumyl]propyl]azanium

Systemtic Name: methyl-(phenylmethyl)-[3-[[(1S)-1-pyridin-4-ylethyl]azaniumyl]propyl]azanium Openeye Name: benzyl-methyl-[3-[[(1S)-1-(4-pyridyl)ethyl]ammonio]propyl]ammonium CAS Name: methyl-(phenylmethyl)-[3-[[(1S)-1-pyridin-4-ylethyl]ammonio]propyl]ammonium IUPAC Name: benzyl-methyl-[3-[[(1S)-1-pyridin-4-ylethyl]azaniumyl]propyl]azanium Traditional Name: benzyl-methyl-[3-[[(1S)-1-(4-pyridyl)ethyl]ammonio]propyl]ammonium Formula: C18H27N3+2 MolecularWeight: 285.42708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=NC=C1)[NH2+]CCC[NH+](C)CC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C1=CC=NC=C1)[NH2+]CCC[NH+](C)CC2=CC=CC=C2

InChI

InChI=1S/C18H25N3/c1-16(18-9-12-19-13-10-18)20-11-6-14-21(2)15-17-7-4-3-5-8-17/h3-5,7-10,12-13,16,20H,6,11,14-15H2,1-2H3/p+2/t16-/m0/s1