(4-ethoxy-3-methoxy-phenyl)methyl-[(3S)-3-(furan-2-yl)-6-methyl-heptyl]azanium

Systemtic Name: (4-ethoxy-3-methoxy-phenyl)methyl-[(3S)-3-(furan-2-yl)-6-methyl-heptyl]azanium Openeye Name: (4-ethoxy-3-methoxy-phenyl)methyl-[(3S)-3-(2-furyl)-6-methyl-heptyl]ammonium CAS Name: (4-ethoxy-3-methoxyphenyl)methyl-[(3S)-3-(2-furanyl)-6-methylheptyl]ammonium IUPAC Name: (4-ethoxy-3-methoxyphenyl)methyl-[(3S)-3-(furan-2-yl)-6-methylheptyl]azanium Traditional Name: (4-ethoxy-3-methoxy-benzyl)-[(3S)-3-(2-furyl)-6-methyl-heptyl]ammonium Formula: C22H34NO3+ MolecularWeight: 360.51026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH2+]CCC(CCC(C)C)C2=CC=CO2)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH2+]CC[C@H](CCC(C)C)C2=CC=CO2)OC

InChI

InChI=1S/C22H33NO3/c1-5-25-21-11-9-18(15-22(21)24-4)16-23-13-12-19(10-8-17(2)3)20-7-6-14-26-20/h6-7,9,11,14-15,17,19,23H,5,8,10,12-13,16H2,1-4H3/p+1/t19-/m0/s1