[(3S)-4-phenyl-3-(4-propan-2-yloxyphenyl)butyl]-[(1R)-1-thiophen-2-ylethyl]azanium

Systemtic Name: [(3S)-4-phenyl-3-(4-propan-2-yloxyphenyl)butyl]-[(1R)-1-thiophen-2-ylethyl]azanium Openeye Name: [(3S)-3-(4-isopropoxyphenyl)-4-phenyl-butyl]-[(1R)-1-(2-thienyl)ethyl]ammonium CAS Name: [(3S)-4-phenyl-3-(4-propan-2-yloxyphenyl)butyl]-[(1R)-1-thiophen-2-ylethyl]ammonium IUPAC Name: [(3S)-4-phenyl-3-(4-propan-2-yloxyphenyl)butyl]-[(1R)-1-thiophen-2-ylethyl]azanium Traditional Name: [(3S)-3-(4-isopropoxyphenyl)-4-phenyl-butyl]-[(1R)-1-(2-thienyl)ethyl]ammonium Formula: C25H32NOS+ MolecularWeight: 394.59268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(CC[NH2+]C(C)C2=CC=CS2)CC3=CC=CC=C3

Isomeric SMILES

C[C@H](C1=CC=CS1)[NH2+]CC[C@H](CC2=CC=CC=C2)C3=CC=C(C=C3)OC(C)C

InChI

InChI=1S/C25H31NOS/c1-19(2)27-24-13-11-22(12-14-24)23(18-21-8-5-4-6-9-21)15-16-26-20(3)25-10-7-17-28-25/h4-14,17,19-20,23,26H,15-16,18H2,1-3H3/p+1/t20-,23-/m1/s1