(2S)-2-[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]-N-(thiophen-2-ylmethyl)propanamide

Systemtic Name: (2S)-2-[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]-N-(thiophen-2-ylmethyl)propanamide Openeye Name: (2S)-2-(4-benzhydrylpiperazine-1,4-diium-1-yl)-N-(2-thienylmethyl)propanamide CAS Name: (2S)-2-[4-(diphenylmethyl)-1-piperazine-1,4-diiumyl]-N-(thiophen-2-ylmethyl)propanamide IUPAC Name: (2S)-2-(4-benzhydrylpiperazine-1,4-diium-1-yl)-N-(thiophen-2-ylmethyl)propanamide Traditional Name: (2S)-2-(4-benzhydrylpiperazine-1,4-diium-1-yl)-N-(2-thenyl)propionamide Formula: C25H31N3OS+2 MolecularWeight: 421.59814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)[NH+]2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CS1)[NH+]2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H29N3OS/c1-20(25(29)26-19-23-13-8-18-30-23)27-14-16-28(17-15-27)24(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-13,18,20,24H,14-17,19H2,1H3,(H,26,29)/p+2/t20-/m0/s1