furan-3-ylmethyl-methyl-[[3-[(2R)-1-(pent-4-enoylamino)propan-2-yl]oxyphenyl]methyl]azanium

Systemtic Name: furan-3-ylmethyl-methyl-[[3-[(2R)-1-(pent-4-enoylamino)propan-2-yl]oxyphenyl]methyl]azanium Openeye Name: 3-furylmethyl-methyl-[[3-[(1R)-1-methyl-2-(pent-4-enoylamino)ethoxy]phenyl]methyl]ammonium CAS Name: 3-furanylmethyl-methyl-[[3-[(2R)-1-(1-oxopent-4-enylamino)propan-2-yl]oxyphenyl]methyl]ammonium IUPAC Name: furan-3-ylmethyl-methyl-[[3-[(2R)-1-(pent-4-enoylamino)propan-2-yl]oxyphenyl]methyl]azanium Traditional Name: 3-furfuryl-methyl-[3-[(1R)-1-methyl-2-(pent-4-enoylamino)ethoxy]benzyl]ammonium Formula: C21H29N2O3+ MolecularWeight: 357.46656

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)CCC=C)OC1=CC=CC(=C1)C[NH+](C)CC2=COC=C2

Isomeric SMILES

C[C@H](CNC(=O)CCC=C)OC1=CC=CC(=C1)C[NH+](C)CC2=COC=C2

InChI

InChI=1S/C21H28N2O3/c1-4-5-9-21(24)22-13-17(2)26-20-8-6-7-18(12-20)14-23(3)15-19-10-11-25-16-19/h4,6-8,10-12,16-17H,1,5,9,13-15H2,2-3H3,(H,22,24)/p+1/t17-/m1/s1