(2R)-N-(2-phenylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(2-phenylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(2-phenylphenyl)-2-[4-(3-thienylmethyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(2-phenylphenyl)-2-[4-(3-thiophenylmethyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(2-phenylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(2-phenylphenyl)-2-[4-(3-thenyl)piperazin-1-ium-1-yl]propionamide Formula: C24H28N3OS+ MolecularWeight: 406.56362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)[NH+]3CCN(CC3)CC4=CSC=C4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C2=CC=CC=C2)[NH+]3CCN(CC3)CC4=CSC=C4

InChI

InChI=1S/C24H27N3OS/c1-19(27-14-12-26(13-15-27)17-20-11-16-29-18-20)24(28)25-23-10-6-5-9-22(23)21-7-3-2-4-8-21/h2-11,16,18-19H,12-15,17H2,1H3,(H,25,28)/p+1/t19-/m1/s1