3-azanyl-N-(cyclopropylmethyl)-5-methyl-N-propyl-N'-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1,2-thiazol-2-ium-2-carboximidamide

Systemtic Name: 3-azanyl-N-(cyclopropylmethyl)-5-methyl-N-propyl-N'-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1,2-thiazol-2-ium-2-carboximidamide Openeye Name: 3-amino-N-(cyclopropylmethyl)-5-methyl-N-propyl-N'-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)isothiazol-2-ium-2-carboxamidine CAS Name: 3-amino-N-(cyclopropylmethyl)-5-methyl-N-propyl-N'-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)-2-isothiazol-2-iumcarboximidamide IUPAC Name: 3-amino-N-(cyclopropylmethyl)-5-methyl-N-propyl-N'-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1,2-thiazol-2-ium-2-carboximidamide Traditional Name: 3-amino-N-(cyclopropylmethyl)-5-methyl-N-propyl-N'-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)isothiazol-2-ium-2-carboxamidine Formula: C21H39N5S+2 MolecularWeight: 393.63286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1CC1)C(=NC2CC([NH2+]C(C2)(C)C)(C)C)[N+]3=C(C=C(S3)C)N

Isomeric SMILES

CCCN(CC1CC1)C(=NC2CC([NH2+]C(C2)(C)C)(C)C)[N+]3=C(C=C(S3)C)N

InChI

InChI=1S/C21H37N5S/c1-7-10-25(14-16-8-9-16)19(26-18(22)11-15(2)27-26)23-17-12-20(3,4)24-21(5,6)13-17/h11,16-17,22,24H,7-10,12-14H2,1-6H3/p+2