1,4-dithiepan-6-yl-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyridin-1-ium-3-yl]methyl]azanium

Systemtic Name: 1,4-dithiepan-6-yl-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyridin-1-ium-3-yl]methyl]azanium Openeye Name: 1,4-dithiepan-6-yl-[[2-[methyl-[2-(2-pyridyl)ethyl]amino]pyridin-1-ium-3-yl]methyl]ammonium CAS Name: 1,4-dithiepan-6-yl-[[2-[methyl-[2-(2-pyridinyl)ethyl]amino]-3-pyridin-1-iumyl]methyl]ammonium IUPAC Name: 1,4-dithiepan-6-yl-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyridin-1-ium-3-yl]methyl]azanium Traditional Name: 1,4-dithiepan-6-yl-[[2-[methyl-[2-(2-pyridyl)ethyl]amino]pyridin-1-ium-3-yl]methyl]ammonium Formula: C19H28N4S2+2 MolecularWeight: 376.58242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=N1)C2=C(C=CC=[NH+]2)C[NH2+]C3CSCCSC3

Isomeric SMILES

CN(CCC1=CC=CC=N1)C2=C(C=CC=[NH+]2)C[NH2+]C3CSCCSC3

InChI

InChI=1S/C19H26N4S2/c1-23(10-7-17-6-2-3-8-20-17)19-16(5-4-9-21-19)13-22-18-14-24-11-12-25-15-18/h2-6,8-9,18,22H,7,10-15H2,1H3/p+2