1,3-benzothiazol-2-ylmethyl-[1-[4-(3-phenylpropanoylamino)phenyl]piperidin-4-yl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[1-[4-(3-phenylpropanoylamino)phenyl]piperidin-4-yl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[1-[4-(3-phenylpropanoylamino)phenyl]-4-piperidyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[1-[4-[(1-oxo-3-phenylpropyl)amino]phenyl]-4-piperidinyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[1-[4-(3-phenylpropanoylamino)phenyl]piperidin-4-yl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[1-[4-(hydrocinnamoylamino)phenyl]-4-piperidyl]ammonium Formula: C28H31N4OS+ MolecularWeight: 471.63694

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]CC2=NC3=CC=CC=C3S2)C4=CC=C(C=C4)NC(=O)CCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1[NH2+]CC2=NC3=CC=CC=C3S2)C4=CC=C(C=C4)NC(=O)CCC5=CC=CC=C5

InChI

InChI=1S/C28H30N4OS/c33-27(15-10-21-6-2-1-3-7-21)30-23-11-13-24(14-12-23)32-18-16-22(17-19-32)29-20-28-31-25-8-4-5-9-26(25)34-28/h1-9,11-14,22,29H,10,15-20H2,(H,30,33)/p+1