N-[4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]thiophene-2-carboxamide Openeye Name: N-[4-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]phenyl]thiophene-2-carboxamide CAS Name: N-[4-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[4-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]phenyl]thiophene-2-carboxamide Formula: C22H23N4O2S+ MolecularWeight: 407.50862

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C22H22N4O2S/c27-21(20-2-1-15-29-20)24-19-5-3-18(4-6-19)22(28)26-13-11-25(12-14-26)16-17-7-9-23-10-8-17/h1-10,15H,11-14,16H2,(H,24,27)/p+1