(4-ethylpiperazin-4-ium-1-yl)-(6-methyl-2-thiophen-3-yl-quinolin-4-yl)methanone

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-(6-methyl-2-thiophen-3-yl-quinolin-4-yl)methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-[6-methyl-2-(3-thienyl)-4-quinolyl]methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[6-methyl-2-(3-thiophenyl)-4-quinolinyl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-(6-methyl-2-thiophen-3-ylquinolin-4-yl)methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-[6-methyl-2-(3-thienyl)-4-quinolyl]methanone Formula: C21H24N3OS+ MolecularWeight: 366.49976

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC(=NC3=C2C=C(C=C3)C)C4=CSC=C4

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC(=NC3=C2C=C(C=C3)C)C4=CSC=C4

InChI

InChI=1S/C21H23N3OS/c1-3-23-7-9-24(10-8-23)21(25)18-13-20(16-6-11-26-14-16)22-19-5-4-15(2)12-17(18)19/h4-6,11-14H,3,7-10H2,1-2H3/p+1