[(3S)-3-cyclohexyl-3-(4-propan-2-yloxyphenyl)propyl]-[(3-ethoxy-4-methoxy-phenyl)methyl]azanium

Systemtic Name: [(3S)-3-cyclohexyl-3-(4-propan-2-yloxyphenyl)propyl]-[(3-ethoxy-4-methoxy-phenyl)methyl]azanium Openeye Name: [(3S)-3-cyclohexyl-3-(4-isopropoxyphenyl)propyl]-[(3-ethoxy-4-methoxy-phenyl)methyl]ammonium CAS Name: [(3S)-3-cyclohexyl-3-(4-propan-2-yloxyphenyl)propyl]-[(3-ethoxy-4-methoxyphenyl)methyl]ammonium IUPAC Name: [(3S)-3-cyclohexyl-3-(4-propan-2-yloxyphenyl)propyl]-[(3-ethoxy-4-methoxyphenyl)methyl]azanium Traditional Name: [(3S)-3-cyclohexyl-3-(4-isopropoxyphenyl)propyl]-(3-ethoxy-4-methoxy-benzyl)ammonium Formula: C28H42NO3+ MolecularWeight: 440.63798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]CCC(C2CCCCC2)C3=CC=C(C=C3)OC(C)C)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]CC[C@@H](C2CCCCC2)C3=CC=C(C=C3)OC(C)C)OC

InChI

InChI=1S/C28H41NO3/c1-5-31-28-19-22(11-16-27(28)30-4)20-29-18-17-26(23-9-7-6-8-10-23)24-12-14-25(15-13-24)32-21(2)3/h11-16,19,21,23,26,29H,5-10,17-18,20H2,1-4H3/p+1/t26-/m0/s1