3-(1,3-benzothiazol-2-yl)-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]propanamide

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]propanamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]propanamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]propanamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]propanamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]propionamide Formula: C27H29N4OS+ MolecularWeight: 457.61036

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)CCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)CCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H28N4OS/c32-26(14-15-27-29-24-8-4-5-9-25(24)33-27)28-22-10-12-23(13-11-22)31-18-16-30(17-19-31)20-21-6-2-1-3-7-21/h1-13H,14-20H2,(H,28,32)/p+1