N-[4-[(2S)-butan-2-yl]phenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)ethanamide

Systemtic Name: N-[4-[(2S)-butan-2-yl]phenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)ethanamide Openeye Name: 2-(4-methylpiperazine-1,4-diium-1-yl)-N-[4-[(1S)-1-methylpropyl]phenyl]acetamide CAS Name: N-[4-[(2S)-butan-2-yl]phenyl]-2-(4-methyl-1-piperazine-1,4-diiumyl)acetamide IUPAC Name: N-[4-[(2S)-butan-2-yl]phenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide Traditional Name: 2-(4-methylpiperazine-1,4-diium-1-yl)-N-[4-[(1S)-1-methylpropyl]phenyl]acetamide Formula: C17H29N3O+2 MolecularWeight: 291.43166

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)C

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)C

InChI

InChI=1S/C17H27N3O/c1-4-14(2)15-5-7-16(8-6-15)18-17(21)13-20-11-9-19(3)10-12-20/h5-8,14H,4,9-13H2,1-3H3,(H,18,21)/p+2/t14-/m0/s1