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

Systemtic Name: N-[(2S)-butan-2-yl]-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-[(1S)-1-methylpropyl]-2-[4-(1-naphthylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-[(2S)-butan-2-yl]-2-[4-(1-naphthalenylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-[(2S)-butan-2-yl]-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-[(1S)-1-methylpropyl]-2-[4-(1-naphthylmethyl)piperazine-1,4-diium-1-yl]acetamide Formula: C21H31N3O+2 MolecularWeight: 341.49034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O/c1-3-17(2)22-21(25)16-24-13-11-23(12-14-24)15-19-9-6-8-18-7-4-5-10-20(18)19/h4-10,17H,3,11-16H2,1-2H3,(H,22,25)/p+2/t17-/m0/s1