N-[3-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]thiophene-2-carboxamide Openeye Name: N-[3-[4-(o-tolylmethyl)piperazin-4-ium-1-carbonyl]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[4-(2-methylbenzyl)piperazin-4-ium-1-carbonyl]phenyl]thiophene-2-carboxamide Formula: C24H26N3O2S+ MolecularWeight: 420.54714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C24H25N3O2S/c1-18-6-2-3-7-20(18)17-26-11-13-27(14-12-26)24(29)19-8-4-9-21(16-19)25-23(28)22-10-5-15-30-22/h2-10,15-16H,11-14,17H2,1H3,(H,25,28)/p+1