N-[4-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]-4-oxidanylidene-butyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]-4-oxidanylidene-butyl]thiophene-2-carboxamide Openeye Name: N-[4-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]-4-oxo-butyl]thiophene-2-carboxamide CAS Name: N-[4-[4-[(4-cyanophenyl)methyl]-1-piperazin-4-iumyl]-4-oxobutyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]-4-oxobutyl]thiophene-2-carboxamide Traditional Name: N-[4-[4-(4-cyanobenzyl)piperazin-4-ium-1-yl]-4-keto-butyl]thiophene-2-carboxamide Formula: C21H25N4O2S+ MolecularWeight: 397.5138

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)CCCNC(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)CCCNC(=O)C3=CC=CS3

InChI

InChI=1S/C21H24N4O2S/c22-15-17-5-7-18(8-6-17)16-24-10-12-25(13-11-24)20(26)4-1-9-23-21(27)19-3-2-14-28-19/h2-3,5-8,14H,1,4,9-13,16H2,(H,23,27)/p+1