(3-ethoxy-2-phenylmethoxy-phenyl)methyl-[2-[[(2S)-2-oxidanylpropyl]azaniumyl]ethyl]azanium

Systemtic Name: (3-ethoxy-2-phenylmethoxy-phenyl)methyl-[2-[[(2S)-2-oxidanylpropyl]azaniumyl]ethyl]azanium Openeye Name: (2-benzyloxy-3-ethoxy-phenyl)methyl-[2-[[(2S)-2-hydroxypropyl]ammonio]ethyl]ammonium CAS Name: (3-ethoxy-2-phenylmethoxyphenyl)methyl-[2-[[(2S)-2-hydroxypropyl]ammonio]ethyl]ammonium IUPAC Name: (3-ethoxy-2-phenylmethoxyphenyl)methyl-[2-[[(2S)-2-hydroxypropyl]azaniumyl]ethyl]azanium Traditional Name: (2-benzoxy-3-ethoxy-benzyl)-[2-[[(2S)-2-hydroxypropyl]ammonio]ethyl]ammonium Formula: C21H32N2O3+2 MolecularWeight: 360.49038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1OCC2=CC=CC=C2)C[NH2+]CC[NH2+]CC(C)O

Isomeric SMILES

CCOC1=CC=CC(=C1OCC2=CC=CC=C2)C[NH2+]CC[NH2+]C[C@H](C)O

InChI

InChI=1S/C21H30N2O3/c1-3-25-20-11-7-10-19(15-23-13-12-22-14-17(2)24)21(20)26-16-18-8-5-4-6-9-18/h4-11,17,22-24H,3,12-16H2,1-2H3/p+2/t17-/m0/s1