N-[4,5-dimethyl-3-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]thiophen-2-yl]benzamide

Systemtic Name: N-[4,5-dimethyl-3-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]thiophen-2-yl]benzamide Openeye Name: N-[3-[(4-benzylpiperazin-1-ium-1-yl)methyl]-4,5-dimethyl-2-thienyl]benzamide CAS Name: N-[4,5-dimethyl-3-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-2-thiophenyl]benzamide IUPAC Name: N-[3-[(4-benzylpiperazin-1-ium-1-yl)methyl]-4,5-dimethylthiophen-2-yl]benzamide Traditional Name: N-[3-[(4-benzylpiperazin-1-ium-1-yl)methyl]-4,5-dimethyl-2-thienyl]benzamide Formula: C25H30N3OS+ MolecularWeight: 420.5902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C[NH+]2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC(=C1C[NH+]2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C25H29N3OS/c1-19-20(2)30-25(26-24(29)22-11-7-4-8-12-22)23(19)18-28-15-13-27(14-16-28)17-21-9-5-3-6-10-21/h3-12H,13-18H2,1-2H3,(H,26,29)/p+1