(4-methyl-1,3-thiazol-2-yl)methyl-[1-[3-(4-phenylbutanoylamino)phenyl]piperidin-4-yl]azanium

Systemtic Name: (4-methyl-1,3-thiazol-2-yl)methyl-[1-[3-(4-phenylbutanoylamino)phenyl]piperidin-4-yl]azanium Openeye Name: (4-methylthiazol-2-yl)methyl-[1-[3-(4-phenylbutanoylamino)phenyl]-4-piperidyl]ammonium CAS Name: (4-methyl-2-thiazolyl)methyl-[1-[3-[(1-oxo-4-phenylbutyl)amino]phenyl]-4-piperidinyl]ammonium IUPAC Name: (4-methyl-1,3-thiazol-2-yl)methyl-[1-[3-(4-phenylbutanoylamino)phenyl]piperidin-4-yl]azanium Traditional Name: (4-methylthiazol-2-yl)methyl-[1-[3-(4-phenylbutanoylamino)phenyl]-4-piperidyl]ammonium Formula: C26H33N4OS+ MolecularWeight: 449.63142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C[NH2+]C2CCN(CC2)C3=CC(=CC=C3)NC(=O)CCCC4=CC=CC=C4

Isomeric SMILES

CC1=CSC(=N1)C[NH2+]C2CCN(CC2)C3=CC(=CC=C3)NC(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C26H32N4OS/c1-20-19-32-26(28-20)18-27-22-13-15-30(16-14-22)24-11-6-10-23(17-24)29-25(31)12-5-9-21-7-3-2-4-8-21/h2-4,6-8,10-11,17,19,22,27H,5,9,12-16,18H2,1H3,(H,29,31)/p+1