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

Systemtic Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-(3-methyl-1-phenyl-thieno[2,3-c]pyrazol-5-yl)methanone Openeye Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-(3-methyl-1-phenyl-thieno[2,3-c]pyrazol-5-yl)methanone CAS Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-(3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolyl)methanone IUPAC Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-(3-methyl-1-phenylthieno[2,3-c]pyrazol-5-yl)methanone Traditional Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-(3-methyl-1-phenyl-thieno[2,3-c]pyrazol-5-yl)methanone Formula: C19H23N4OS+ MolecularWeight: 355.47712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)N3CCC[NH+](CC3)C)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)N3CCC[NH+](CC3)C)C4=CC=CC=C4

InChI

InChI=1S/C19H22N4OS/c1-14-16-13-17(18(24)22-10-6-9-21(2)11-12-22)25-19(16)23(20-14)15-7-4-3-5-8-15/h3-5,7-8,13H,6,9-12H2,1-2H3/p+1