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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)[NH+]3CC[NH+](CC3)CC4=CC=CS4

Isomeric SMILES

C[C@H](C(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)[NH+]3CC[NH+](CC3)CC4=CC=CS4

InChI

InChI=1S/C25H29N3OS/c1-20(28-16-14-27(15-17-28)19-23-13-8-18-30-23)25(29)26-24(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-/m1/s1