(2S)-N-phenethyl-N-(phenylmethyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-phenethyl-N-(phenylmethyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-benzyl-N-phenethyl-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]-N-phenethyl-N-(phenylmethyl)propanamide IUPAC Name: (2S)-N-benzyl-N-phenethyl-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-benzyl-N-phenethyl-2-[4-(2-thenoyl)piperazin-1-ium-1-yl]propionamide Formula: C27H32N3O2S+ MolecularWeight: 462.62688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC1=CC=CC=C1)CC2=CC=CC=C2)[NH+]3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

C[C@@H](C(=O)N(CCC1=CC=CC=C1)CC2=CC=CC=C2)[NH+]3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C27H31N3O2S/c1-22(28-16-18-29(19-17-28)27(32)25-13-8-20-33-25)26(31)30(21-24-11-6-3-7-12-24)15-14-23-9-4-2-5-10-23/h2-13,20,22H,14-19,21H2,1H3/p+1/t22-/m0/s1