N-[5-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]carbonyl-4-methyl-thiophen-2-yl]-2,2-dimethyl-propanamide

Systemtic Name: N-[5-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]carbonyl-4-methyl-thiophen-2-yl]-2,2-dimethyl-propanamide Openeye Name: N-[5-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-carbonyl]-4-methyl-2-thienyl]-2,2-dimethyl-propanamide CAS Name: N-[5-[[4-[(4-cyanophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-4-methyl-2-thiophenyl]-2,2-dimethylpropanamide IUPAC Name: N-[5-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-carbonyl]-4-methylthiophen-2-yl]-2,2-dimethylpropanamide Traditional Name: N-[5-[4-(4-cyanobenzyl)piperazin-4-ium-1-carbonyl]-4-methyl-2-thienyl]-2,2-dimethyl-propionamide Formula: C23H29N4O2S+ MolecularWeight: 425.56696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)C(C)(C)C)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)C(C)(C)C)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H28N4O2S/c1-16-13-19(25-22(29)23(2,3)4)30-20(16)21(28)27-11-9-26(10-12-27)15-18-7-5-17(14-24)6-8-18/h5-8,13H,9-12,15H2,1-4H3,(H,25,29)/p+1