methyl-[2-oxidanylidene-2-[[(3S)-1-phenethylpiperidin-1-ium-3-yl]amino]ethyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: methyl-[2-oxidanylidene-2-[[(3S)-1-phenethylpiperidin-1-ium-3-yl]amino]ethyl]-(pyridin-4-ylmethyl)azanium Openeye Name: methyl-[2-oxo-2-[[(3S)-1-phenethylpiperidin-1-ium-3-yl]amino]ethyl]-(4-pyridylmethyl)ammonium CAS Name: methyl-[2-oxo-2-[[(3S)-1-phenethyl-3-piperidin-1-iumyl]amino]ethyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: methyl-[2-oxo-2-[[(3S)-1-phenethylpiperidin-1-ium-3-yl]amino]ethyl]-(pyridin-4-ylmethyl)azanium Traditional Name: [2-keto-2-[[(3S)-1-phenethylpiperidin-1-ium-3-yl]amino]ethyl]-methyl-(4-pyridylmethyl)ammonium Formula: C22H32N4O+2 MolecularWeight: 368.51568

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=NC=C1)CC(=O)NC2CCC[NH+](C2)CCC3=CC=CC=C3

Isomeric SMILES

C[NH+](CC1=CC=NC=C1)CC(=O)N[C@H]2CCC[NH+](C2)CCC3=CC=CC=C3

InChI

InChI=1S/C22H30N4O/c1-25(16-20-9-12-23-13-10-20)18-22(27)24-21-8-5-14-26(17-21)15-11-19-6-3-2-4-7-19/h2-4,6-7,9-10,12-13,21H,5,8,11,14-18H2,1H3,(H,24,27)/p+2/t21-/m0/s1