(4-ethoxy-3-methoxy-phenyl)methyl-[(3S)-3-(4-methoxyphenyl)-6-methyl-heptyl]azanium

Systemtic Name: (4-ethoxy-3-methoxy-phenyl)methyl-[(3S)-3-(4-methoxyphenyl)-6-methyl-heptyl]azanium Openeye Name: (4-ethoxy-3-methoxy-phenyl)methyl-[(3S)-3-(4-methoxyphenyl)-6-methyl-heptyl]ammonium CAS Name: (4-ethoxy-3-methoxyphenyl)methyl-[(3S)-3-(4-methoxyphenyl)-6-methylheptyl]ammonium IUPAC Name: (4-ethoxy-3-methoxyphenyl)methyl-[(3S)-3-(4-methoxyphenyl)-6-methylheptyl]azanium Traditional Name: (4-ethoxy-3-methoxy-benzyl)-[(3S)-3-(4-methoxyphenyl)-6-methyl-heptyl]ammonium Formula: C25H38NO3+ MolecularWeight: 400.57412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H37NO3/c1-6-29-24-14-8-20(17-25(24)28-5)18-26-16-15-22(9-7-19(2)3)21-10-12-23(27-4)13-11-21/h8,10-14,17,19,22,26H,6-7,9,15-16,18H2,1-5H3/p+1/t22-/m0/s1