N-butyl-5-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-3-methyl-4H-1,3,4-thiadiazin-3-ium-2-amine

Systemtic Name: N-butyl-5-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-3-methyl-4H-1,3,4-thiadiazin-3-ium-2-amine Openeye Name: N-butyl-5-[1-(2-furylmethyl)-2,5-dimethyl-pyrrol-3-yl]-3-methyl-4H-1,3,4-thiadiazin-3-ium-2-amine CAS Name: N-butyl-5-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-3-methyl-4H-1,3,4-thiadiazin-3-ium-2-amine IUPAC Name: N-butyl-5-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-3-methyl-4H-1,3,4-thiadiazin-3-ium-2-amine Traditional Name: butyl-[5-[1-(2-furfuryl)-2,5-dimethyl-pyrrol-3-yl]-3-methyl-4H-1,3,4-thiadiazin-3-ium-2-yl]amine Formula: C19H27N4OS+ MolecularWeight: 359.50888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=[N+](NC(=CS1)C2=C(N(C(=C2)C)CC3=CC=CO3)C)C

Isomeric SMILES

CCCCNC1=[N+](NC(=CS1)C2=C(N(C(=C2)C)CC3=CC=CO3)C)C

InChI

InChI=1S/C19H26N4OS/c1-5-6-9-20-19-22(4)21-18(13-25-19)17-11-14(2)23(15(17)3)12-16-8-7-10-24-16/h7-8,10-11,13,21H,5-6,9,12H2,1-4H3/p+1