[(4R)-2,2-dimethyloxan-4-yl]-[(3R)-3-phenyl-3-thiophen-2-yl-butyl]azanium

Systemtic Name: [(4R)-2,2-dimethyloxan-4-yl]-[(3R)-3-phenyl-3-thiophen-2-yl-butyl]azanium Openeye Name: [(4R)-2,2-dimethyltetrahydropyran-4-yl]-[(3R)-3-phenyl-3-(2-thienyl)butyl]ammonium CAS Name: [(4R)-2,2-dimethyl-4-oxanyl]-[(3R)-3-phenyl-3-thiophen-2-ylbutyl]ammonium IUPAC Name: [(4R)-2,2-dimethyloxan-4-yl]-[(3R)-3-phenyl-3-thiophen-2-ylbutyl]azanium Traditional Name: [(4R)-2,2-dimethyltetrahydropyran-4-yl]-[(3R)-3-phenyl-3-(2-thienyl)butyl]ammonium Formula: C21H30NOS+ MolecularWeight: 344.534

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)[NH2+]CCC(C)(C2=CC=CC=C2)C3=CC=CS3)C

Isomeric SMILES

CC1(C[C@@H](CCO1)[NH2+]CC[C@](C)(C2=CC=CC=C2)C3=CC=CS3)C

InChI

InChI=1S/C21H29NOS/c1-20(2)16-18(11-14-23-20)22-13-12-21(3,19-10-7-15-24-19)17-8-5-4-6-9-17/h4-10,15,18,22H,11-14,16H2,1-3H3/p+1/t18-,21-/m1/s1