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

Systemtic Name: (1-methylpiperidin-1-ium-4-yl)methyl-phenethyl-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]azanium Openeye Name: (4-isopropylthiazol-2-yl)methyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-phenethyl-ammonium CAS Name: (1-methyl-4-piperidin-1-iumyl)methyl-phenethyl-[(4-propan-2-yl-2-thiazolyl)methyl]ammonium IUPAC Name: (1-methylpiperidin-1-ium-4-yl)methyl-phenethyl-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]azanium Traditional Name: (4-isopropylthiazol-2-yl)methyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-phenethyl-ammonium Formula: C22H35N3S+2 MolecularWeight: 373.5984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CSC(=N1)C[NH+](CCC2=CC=CC=C2)CC3CC[NH+](CC3)C

Isomeric SMILES

CC(C)C1=CSC(=N1)C[NH+](CCC2=CC=CC=C2)CC3CC[NH+](CC3)C

InChI

InChI=1S/C22H33N3S/c1-18(2)21-17-26-22(23-21)16-25(14-11-19-7-5-4-6-8-19)15-20-9-12-24(3)13-10-20/h4-8,17-18,20H,9-16H2,1-3H3/p+2