[4-(benzotriazol-1-ylmethyl)phenyl]-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [4-(benzotriazol-1-ylmethyl)phenyl]-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [4-(benzotriazol-1-ylmethyl)phenyl]-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [4-(1-benzotriazolylmethyl)phenyl]-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [4-(benzotriazol-1-ylmethyl)phenyl]-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [4-(benzotriazol-1-ylmethyl)phenyl]-[4-(2-thenyl)piperazin-4-ium-1-yl]methanone Formula: C23H24N5OS+ MolecularWeight: 418.53456

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C23H23N5OS/c29-23(27-13-11-26(12-14-27)17-20-4-3-15-30-20)19-9-7-18(8-10-19)16-28-22-6-2-1-5-21(22)24-25-28/h1-10,15H,11-14,16-17H2/p+1