N-[(2S)-butan-2-yl]-2-(3-piperazin-4-ium-1-ylphenyl)ethanamide

Systemtic Name: N-[(2S)-butan-2-yl]-2-(3-piperazin-4-ium-1-ylphenyl)ethanamide Openeye Name: N-[(1S)-1-methylpropyl]-2-(3-piperazin-4-ium-1-ylphenyl)acetamide CAS Name: N-[(2S)-butan-2-yl]-2-[3-(1-piperazin-4-iumyl)phenyl]acetamide IUPAC Name: N-[(2S)-butan-2-yl]-2-(3-piperazin-4-ium-1-ylphenyl)acetamide Traditional Name: N-[(1S)-1-methylpropyl]-2-(3-piperazin-4-ium-1-ylphenyl)acetamide Formula: C16H26N3O+ MolecularWeight: 276.39714

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CC1=CC(=CC=C1)N2CC[NH2+]CC2

Isomeric SMILES

CC[C@H](C)NC(=O)CC1=CC(=CC=C1)N2CC[NH2+]CC2

InChI

InChI=1S/C16H25N3O/c1-3-13(2)18-16(20)12-14-5-4-6-15(11-14)19-9-7-17-8-10-19/h4-6,11,13,17H,3,7-10,12H2,1-2H3,(H,18,20)/p+1/t13-/m0/s1