(2R)-N-(phenylmethyl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propanamide

Systemtic Name: (2R)-N-(phenylmethyl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propanamide Openeye Name: (2R)-N-benzyl-2-(4-benzylpiperazine-1,4-diium-1-yl)propanamide CAS Name: (2R)-N-(phenylmethyl)-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: (2R)-N-benzyl-2-(4-benzylpiperazine-1,4-diium-1-yl)propanamide Traditional Name: (2R)-N-benzyl-2-(4-benzylpiperazine-1,4-diium-1-yl)propionamide Formula: C21H29N3O+2 MolecularWeight: 339.47446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CC=C1)[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O/c1-18(21(25)22-16-19-8-4-2-5-9-19)24-14-12-23(13-15-24)17-20-10-6-3-7-11-20/h2-11,18H,12-17H2,1H3,(H,22,25)/p+2/t18-/m1/s1