3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl-[(1S)-1-pyridin-4-ylethyl]azanium

Systemtic Name: 3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl-[(1S)-1-pyridin-4-ylethyl]azanium Openeye Name: 3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl-[(1S)-1-(4-pyridyl)ethyl]ammonium CAS Name: 3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl-[(1S)-1-pyridin-4-ylethyl]ammonium IUPAC Name: 3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl-[(1S)-1-pyridin-4-ylethyl]azanium Traditional Name: 3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl-[(1S)-1-(4-pyridyl)ethyl]ammonium Formula: C16H29N3+2 MolecularWeight: 263.42156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N3/c1-14-6-3-4-12-19(14)13-5-9-18-15(2)16-7-10-17-11-8-16/h7-8,10-11,14-15,18H,3-6,9,12-13H2,1-2H3/p+2/t14-,15-/m0/s1