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

Systemtic Name: N-[(2S)-butan-2-yl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(1S)-1-methylpropyl]acetamide CAS Name: N-[(2S)-butan-2-yl]-2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2S)-butan-2-yl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(1S)-1-methylpropyl]acetamide Formula: C17H28N3O2+ MolecularWeight: 306.42312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O2/c1-4-14(2)18-17(21)13-19-8-10-20(11-9-19)15-6-5-7-16(12-15)22-3/h5-7,12,14H,4,8-11,13H2,1-3H3,(H,18,21)/p+1/t14-/m0/s1