[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [5-(1,3-benzothiazol-2-yl)-2-thienyl]-(4-benzylpiperazin-4-ium-1-yl)methanone CAS Name: [5-(1,3-benzothiazol-2-yl)-2-thiophenyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-(4-benzylpiperazin-4-ium-1-yl)methanone Traditional Name: [5-(1,3-benzothiazol-2-yl)-2-thienyl]-(4-benzylpiperazin-4-ium-1-yl)methanone Formula: C23H22N3OS2+ MolecularWeight: 420.57028

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC=C(S3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC=C(S3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H21N3OS2/c27-23(26-14-12-25(13-15-26)16-17-6-2-1-3-7-17)21-11-10-20(28-21)22-24-18-8-4-5-9-19(18)29-22/h1-11H,12-16H2/p+1