(3-methyl-1-phenyl-thieno[2,3-c]pyrazol-5-yl)-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (3-methyl-1-phenyl-thieno[2,3-c]pyrazol-5-yl)-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: (3-methyl-1-phenyl-thieno[2,3-c]pyrazol-5-yl)-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: (3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolyl)-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: (3-methyl-1-phenylthieno[2,3-c]pyrazol-5-yl)-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: (3-methyl-1-phenyl-thieno[2,3-c]pyrazol-5-yl)-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C18H21N4OS+ MolecularWeight: 341.45054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)N3CC[NH+](CC3)C)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)N3CC[NH+](CC3)C)C4=CC=CC=C4

InChI

InChI=1S/C18H20N4OS/c1-13-15-12-16(17(23)21-10-8-20(2)9-11-21)24-18(15)22(19-13)14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3/p+1