[(1S)-1-(5-methyl-1-naphthalen-1-yl-pyrazol-4-yl)ethyl]-(thian-4-yl)azanium

Systemtic Name: [(1S)-1-(5-methyl-1-naphthalen-1-yl-pyrazol-4-yl)ethyl]-(thian-4-yl)azanium Openeye Name: [(1S)-1-[5-methyl-1-(1-naphthyl)pyrazol-4-yl]ethyl]-tetrahydrothiopyran-4-yl-ammonium CAS Name: [(1S)-1-[5-methyl-1-(1-naphthalenyl)-4-pyrazolyl]ethyl]-(4-thianyl)ammonium IUPAC Name: [(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-(thian-4-yl)azanium Traditional Name: [(1S)-1-[5-methyl-1-(1-naphthyl)pyrazol-4-yl]ethyl]-tetrahydrothiopyran-4-yl-ammonium Formula: C21H26N3S+ MolecularWeight: 352.51624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC3=CC=CC=C32)C(C)[NH2+]C4CCSCC4

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC3=CC=CC=C32)[C@H](C)[NH2+]C4CCSCC4

InChI

InChI=1S/C21H25N3S/c1-15(23-18-10-12-25-13-11-18)20-14-22-24(16(20)2)21-9-5-7-17-6-3-4-8-19(17)21/h3-9,14-15,18,23H,10-13H2,1-2H3/p+1/t15-/m0/s1