[2-[methyl(2-pyridin-2-ylethyl)amino]pyridin-1-ium-3-yl]methyl-(thian-4-yl)azanium

Systemtic Name: [2-[methyl(2-pyridin-2-ylethyl)amino]pyridin-1-ium-3-yl]methyl-(thian-4-yl)azanium Openeye Name: [2-[methyl-[2-(2-pyridyl)ethyl]amino]pyridin-1-ium-3-yl]methyl-tetrahydrothiopyran-4-yl-ammonium CAS Name: [2-[methyl-[2-(2-pyridinyl)ethyl]amino]-3-pyridin-1-iumyl]methyl-(4-thianyl)ammonium IUPAC Name: [2-[methyl(2-pyridin-2-ylethyl)amino]pyridin-1-ium-3-yl]methyl-(thian-4-yl)azanium Traditional Name: [2-[methyl-[2-(2-pyridyl)ethyl]amino]pyridin-1-ium-3-yl]methyl-tetrahydrothiopyran-4-yl-ammonium Formula: C19H28N4S+2 MolecularWeight: 344.51742

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=N1)C2=C(C=CC=[NH+]2)C[NH2+]C3CCSCC3

Isomeric SMILES

CN(CCC1=CC=CC=N1)C2=C(C=CC=[NH+]2)C[NH2+]C3CCSCC3

InChI

InChI=1S/C19H26N4S/c1-23(12-7-17-6-2-3-10-20-17)19-16(5-4-11-21-19)15-22-18-8-13-24-14-9-18/h2-6,10-11,18,22H,7-9,12-15H2,1H3/p+2