[2-[methyl-(phenylmethyl)amino]pyridin-3-yl]methyl-(thian-4-yl)azanium

Systemtic Name: [2-[methyl-(phenylmethyl)amino]pyridin-3-yl]methyl-(thian-4-yl)azanium Openeye Name: [2-[benzyl(methyl)amino]-3-pyridyl]methyl-tetrahydrothiopyran-4-yl-ammonium CAS Name: [2-[methyl-(phenylmethyl)amino]-3-pyridinyl]methyl-(4-thianyl)ammonium IUPAC Name: [2-[benzyl(methyl)amino]pyridin-3-yl]methyl-(thian-4-yl)azanium Traditional Name: [2-[benzyl(methyl)amino]-3-pyridyl]methyl-tetrahydrothiopyran-4-yl-ammonium Formula: C19H26N3S+ MolecularWeight: 328.49484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=C(C=CC=N2)C[NH2+]C3CCSCC3

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=C(C=CC=N2)C[NH2+]C3CCSCC3

InChI

InChI=1S/C19H25N3S/c1-22(15-16-6-3-2-4-7-16)19-17(8-5-11-20-19)14-21-18-9-12-23-13-10-18/h2-8,11,18,21H,9-10,12-15H2,1H3/p+1