(2R)-N-(3-ethanoylphenyl)-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]propanamide

Systemtic Name: (2R)-N-(3-ethanoylphenyl)-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]propanamide Openeye Name: (2R)-N-(3-acetylphenyl)-2-[4-(1-naphthylmethyl)piperazine-1,4-diium-1-yl]propanamide CAS Name: (2R)-N-(3-acetylphenyl)-2-[4-(1-naphthalenylmethyl)-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: (2R)-N-(3-acetylphenyl)-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]propanamide Traditional Name: (2R)-N-(3-acetylphenyl)-2-[4-(1-naphthylmethyl)piperazine-1,4-diium-1-yl]propionamide Formula: C26H31N3O2+2 MolecularWeight: 417.54324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(=O)C)[NH+]2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC(=C1)C(=O)C)[NH+]2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C26H29N3O2/c1-19(26(31)27-24-11-6-9-22(17-24)20(2)30)29-15-13-28(14-16-29)18-23-10-5-8-21-7-3-4-12-25(21)23/h3-12,17,19H,13-16,18H2,1-2H3,(H,27,31)/p+2/t19-/m1/s1