N-[5-ethyl-3-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]thiophen-2-yl]benzamide

Systemtic Name: N-[5-ethyl-3-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]thiophen-2-yl]benzamide Openeye Name: N-[3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-5-ethyl-2-thienyl]benzamide CAS Name: N-[5-ethyl-3-[[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-2-thiophenyl]benzamide IUPAC Name: N-[3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-5-ethylthiophen-2-yl]benzamide Traditional Name: N-[3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-5-ethyl-2-thienyl]benzamide Formula: C25H31N3OS+2 MolecularWeight: 421.59814

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

InChI

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