(2R)-N-phenethyl-N-(phenylmethyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-phenethyl-N-(phenylmethyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-benzyl-N-phenethyl-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-N-phenethyl-N-(phenylmethyl)-2-[4-(2-thiazolyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-benzyl-N-phenethyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-benzyl-N-phenethyl-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)propionamide Formula: C25H31N4OS+ MolecularWeight: 435.60484

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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)C4=NC=CS4

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4OS/c1-21(27-15-17-28(18-16-27)25-26-13-19-31-25)24(30)29(20-23-10-6-3-7-11-23)14-12-22-8-4-2-5-9-22/h2-11,13,19,21H,12,14-18,20H2,1H3/p+1/t21-/m1/s1