[4-[2-cyanoethyl(methyl)amino]phenyl]methyl-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]azanium

Systemtic Name: [4-[2-cyanoethyl(methyl)amino]phenyl]methyl-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]azanium Openeye Name: [4-[2-cyanoethyl(methyl)amino]phenyl]methyl-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]ammonium CAS Name: [4-[2-cyanoethyl(methyl)amino]phenyl]methyl-[(2R)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]ammonium IUPAC Name: [4-[2-cyanoethyl(methyl)amino]phenyl]methyl-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]azanium Traditional Name: [4-[2-cyanoethyl(methyl)amino]benzyl]-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]ammonium Formula: C22H32N4O+2 MolecularWeight: 368.51568

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C1=CC=C(C=C1)C[NH2+]CC(C2=CC=CO2)[NH+]3CCCCC3

Isomeric SMILES

CN(CCC#N)C1=CC=C(C=C1)C[NH2+]C[C@H](C2=CC=CO2)[NH+]3CCCCC3

InChI

InChI=1S/C22H30N4O/c1-25(13-6-12-23)20-10-8-19(9-11-20)17-24-18-21(22-7-5-16-27-22)26-14-3-2-4-15-26/h5,7-11,16,21,24H,2-4,6,13-15,17-18H2,1H3/p+2/t21-/m1/s1