[4-(phenylmethyl)piperazin-4-ium-1-yl]-(2-thiophen-3-ylquinolin-4-yl)methanone

Systemtic Name: [4-(phenylmethyl)piperazin-4-ium-1-yl]-(2-thiophen-3-ylquinolin-4-yl)methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(3-thienyl)-4-quinolyl]methanone CAS Name: [4-(phenylmethyl)-1-piperazin-4-iumyl]-[2-(3-thiophenyl)-4-quinolinyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(2-thiophen-3-ylquinolin-4-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(3-thienyl)-4-quinolyl]methanone Formula: C25H24N3OS+ MolecularWeight: 414.54256

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CSC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CSC=C5

InChI

InChI=1S/C25H23N3OS/c29-25(28-13-11-27(12-14-28)17-19-6-2-1-3-7-19)22-16-24(20-10-15-30-18-20)26-23-9-5-4-8-21(22)23/h1-10,15-16,18H,11-14,17H2/p+1