(E)-3-(1,3-benzothiazol-2-yl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-1-(4-benzylpiperazin-4-ium-1-yl)prop-2-en-1-one CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-1-(4-benzylpiperazin-4-ium-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-1-(4-benzylpiperazin-4-ium-1-yl)prop-2-en-1-one Formula: C21H22N3OS+ MolecularWeight: 364.48388

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C=CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)/C=C/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H21N3OS/c25-21(11-10-20-22-18-8-4-5-9-19(18)26-20)24-14-12-23(13-15-24)16-17-6-2-1-3-7-17/h1-11H,12-16H2/p+1/b11-10+