(1-methylpiperidin-1-ium-4-yl)methyl-phenethyl-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]azanium

Systemtic Name: (1-methylpiperidin-1-ium-4-yl)methyl-phenethyl-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]azanium Openeye Name: (1-methylpiperidin-1-ium-4-yl)methyl-phenethyl-[(1-thiazol-2-ylpyrrol-2-yl)methyl]ammonium CAS Name: (1-methyl-4-piperidin-1-iumyl)methyl-phenethyl-[[1-(2-thiazolyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: (1-methylpiperidin-1-ium-4-yl)methyl-phenethyl-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]azanium Traditional Name: (1-methylpiperidin-1-ium-4-yl)methyl-phenethyl-[(1-thiazol-2-ylpyrrol-2-yl)methyl]ammonium Formula: C23H32N4S+2 MolecularWeight: 396.59198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)C[NH+](CCC2=CC=CC=C2)CC3=CC=CN3C4=NC=CS4

Isomeric SMILES

C[NH+]1CCC(CC1)C[NH+](CCC2=CC=CC=C2)CC3=CC=CN3C4=NC=CS4

InChI

InChI=1S/C23H30N4S/c1-25-14-9-21(10-15-25)18-26(16-11-20-6-3-2-4-7-20)19-22-8-5-13-27(22)23-24-12-17-28-23/h2-8,12-13,17,21H,9-11,14-16,18-19H2,1H3/p+2