2-azanyl-5-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonyl-4-methyl-thiophene-3-carbonitrile

Systemtic Name: 2-azanyl-5-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonyl-4-methyl-thiophene-3-carbonitrile Openeye Name: 2-amino-5-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-4-methyl-thiophene-3-carbonitrile CAS Name: 2-amino-5-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-4-methyl-3-thiophenecarbonitrile IUPAC Name: 2-amino-5-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-4-methylthiophene-3-carbonitrile Traditional Name: 2-amino-5-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-4-methyl-thiophene-3-carbonitrile Formula: C24H25N4OS+ MolecularWeight: 417.5465

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)N)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(SC(=C1C#N)N)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H24N4OS/c1-17-20(16-25)23(26)30-22(17)24(29)28-14-12-27(13-15-28)21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,21H,12-15,26H2,1H3/p+1