(2R)-1-(3-imidazol-1-ylpropyl)-N,2,4-tris(phenylmethyl)piperazin-1-ium-1-carboxamide

Systemtic Name: (2R)-1-(3-imidazol-1-ylpropyl)-N,2,4-tris(phenylmethyl)piperazin-1-ium-1-carboxamide Openeye Name: (2R)-N,2,4-tribenzyl-1-(3-imidazol-1-ylpropyl)piperazin-1-ium-1-carboxamide CAS Name: (2R)-1-[3-(1-imidazolyl)propyl]-N,2,4-tris(phenylmethyl)-1-piperazin-1-iumcarboxamide IUPAC Name: (2R)-N,2,4-tribenzyl-1-(3-imidazol-1-ylpropyl)piperazin-1-ium-1-carboxamide Traditional Name: (2R)-N,2,4-tribenzyl-1-(3-imidazol-1-ylpropyl)piperazin-1-ium-1-carboxamide Formula: C32H38N5O+ MolecularWeight: 508.67702

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](C(CN1CC2=CC=CC=C2)CC3=CC=CC=C3)(CCCN4C=CN=C4)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1C[N+]([C@@H](CN1CC2=CC=CC=C2)CC3=CC=CC=C3)(CCCN4C=CN=C4)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C32H37N5O/c38-32(34-24-29-13-6-2-7-14-29)37(21-10-18-35-19-17-33-27-35)22-20-36(25-30-15-8-3-9-16-30)26-31(37)23-28-11-4-1-5-12-28/h1-9,11-17,19,27,31H,10,18,20-26H2/p+1/t31-,37?/m1/s1