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

Systemtic Name: N-[(2S)-butan-2-yl]-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[(1S)-1-methylpropyl]acetamide CAS Name: N-[(2S)-butan-2-yl]-2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2S)-butan-2-yl]-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[(1S)-1-methylpropyl]acetamide Formula: C18H30N3O+ MolecularWeight: 304.4503

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C[NH+]1CCN(CC1)C2=CC=CC(=C2C)C

Isomeric SMILES

CC[C@H](C)NC(=O)C[NH+]1CCN(CC1)C2=CC=CC(=C2C)C

InChI

InChI=1S/C18H29N3O/c1-5-15(3)19-18(22)13-20-9-11-21(12-10-20)17-8-6-7-14(2)16(17)4/h6-8,15H,5,9-13H2,1-4H3,(H,19,22)/p+1/t15-/m0/s1