2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(2S)-pentan-2-yl]ethanamide

Systemtic Name: 2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(2S)-pentan-2-yl]ethanamide Openeye Name: N-[(1S)-1-methylbutyl]-2-[4-(1-naphthylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: 2-[4-(1-naphthalenylmethyl)-1-piperazine-1,4-diiumyl]-N-[(2S)-pentan-2-yl]acetamide IUPAC Name: 2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(2S)-pentan-2-yl]acetamide Traditional Name: N-[(1S)-1-methylbutyl]-2-[4-(1-naphthylmethyl)piperazine-1,4-diium-1-yl]acetamide Formula: C22H33N3O+2 MolecularWeight: 355.51692

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)C[NH+]1CC[NH+](CC1)CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCC[C@H](C)NC(=O)C[NH+]1CC[NH+](CC1)CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C22H31N3O/c1-3-7-18(2)23-22(26)17-25-14-12-24(13-15-25)16-20-10-6-9-19-8-4-5-11-21(19)20/h4-6,8-11,18H,3,7,12-17H2,1-2H3,(H,23,26)/p+2/t18-/m0/s1