[(3R)-6-methyl-3-(4-propan-2-yloxyphenyl)heptyl]-[(1R)-1-phenylethyl]azanium

Systemtic Name: [(3R)-6-methyl-3-(4-propan-2-yloxyphenyl)heptyl]-[(1R)-1-phenylethyl]azanium Openeye Name: [(3R)-3-(4-isopropoxyphenyl)-6-methyl-heptyl]-[(1R)-1-phenylethyl]ammonium CAS Name: [(3R)-6-methyl-3-(4-propan-2-yloxyphenyl)heptyl]-[(1R)-1-phenylethyl]ammonium IUPAC Name: [(3R)-6-methyl-3-(4-propan-2-yloxyphenyl)heptyl]-[(1R)-1-phenylethyl]azanium Traditional Name: [(3R)-3-(4-isopropoxyphenyl)-6-methyl-heptyl]-[(1R)-1-phenylethyl]ammonium Formula: C25H38NO+ MolecularWeight: 368.57532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H37NO/c1-19(2)11-12-24(23-13-15-25(16-14-23)27-20(3)4)17-18-26-21(5)22-9-7-6-8-10-22/h6-10,13-16,19-21,24,26H,11-12,17-18H2,1-5H3/p+1/t21-,24-/m1/s1