[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]methyl-[(1R)-1-phenylbutyl]azanium

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]methyl-[(1R)-1-phenylbutyl]azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]methyl-[(1R)-1-phenylbutyl]ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-[(1R)-1-phenylbutyl]ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-[(1R)-1-phenylbutyl]azanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-3-methoxy-benzyl]-[(1R)-1-phenylbutyl]ammonium Formula: C20H27N2O3+ MolecularWeight: 343.43998

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)[NH2+]CC2=CC(=C(C=C2)OCC(=O)N)OC

Isomeric SMILES

CCC[C@H](C1=CC=CC=C1)[NH2+]CC2=CC(=C(C=C2)OCC(=O)N)OC

InChI

InChI=1S/C20H26N2O3/c1-3-7-17(16-8-5-4-6-9-16)22-13-15-10-11-18(19(12-15)24-2)25-14-20(21)23/h4-6,8-12,17,22H,3,7,13-14H2,1-2H3,(H2,21,23)/p+1/t17-/m1/s1