5-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-4H-1,3,4-thiadiazin-2-amine

Systemtic Name: 5-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-4H-1,3,4-thiadiazin-2-amine Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-5-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-4H-1,3,4-thiadiazin-2-amine CAS Name: 5-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4H-1,3,4-thiadiazin-2-amine IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-5-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-4H-1,3,4-thiadiazin-2-amine Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[5-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-4H-1,3,4-thiadiazin-2-yl]amine Formula: C29H36N5S+ MolecularWeight: 486.69464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C3=CSC(=NN3)NC4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C3=CSC(=NN3)NC4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H35N5S/c1-22-19-27(23(2)34(22)18-13-24-9-5-3-6-10-24)28-21-35-29(32-31-28)30-26-14-16-33(17-15-26)20-25-11-7-4-8-12-25/h3-12,19,21,26,31H,13-18,20H2,1-2H3,(H,30,32)/p+1