3-(4-methyl-1,3-thiazol-5-yl)propyl-[1-[4-(5-phenylpentanoylamino)phenyl]piperidin-4-yl]azanium

Systemtic Name: 3-(4-methyl-1,3-thiazol-5-yl)propyl-[1-[4-(5-phenylpentanoylamino)phenyl]piperidin-4-yl]azanium Openeye Name: 3-(4-methylthiazol-5-yl)propyl-[1-[4-(5-phenylpentanoylamino)phenyl]-4-piperidyl]ammonium CAS Name: 3-(4-methyl-5-thiazolyl)propyl-[1-[4-[(1-oxo-5-phenylpentyl)amino]phenyl]-4-piperidinyl]ammonium IUPAC Name: 3-(4-methyl-1,3-thiazol-5-yl)propyl-[1-[4-(5-phenylpentanoylamino)phenyl]piperidin-4-yl]azanium Traditional Name: 3-(4-methylthiazol-5-yl)propyl-[1-[4-(5-phenylpentanoylamino)phenyl]-4-piperidyl]ammonium Formula: C29H39N4OS+ MolecularWeight: 491.71116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=N1)CCC[NH2+]C2CCN(CC2)C3=CC=C(C=C3)NC(=O)CCCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC=N1)CCC[NH2+]C2CCN(CC2)C3=CC=C(C=C3)NC(=O)CCCCC4=CC=CC=C4

InChI

InChI=1S/C29H38N4OS/c1-23-28(35-22-31-23)11-7-19-30-25-17-20-33(21-18-25)27-15-13-26(14-16-27)32-29(34)12-6-5-10-24-8-3-2-4-9-24/h2-4,8-9,13-16,22,25,30H,5-7,10-12,17-21H2,1H3,(H,32,34)/p+1