(2S)-2-(4-methylpiperazine-1,4-diium-1-yl)-N-(4-propan-2-ylphenyl)propanamide

Systemtic Name: (2S)-2-(4-methylpiperazine-1,4-diium-1-yl)-N-(4-propan-2-ylphenyl)propanamide Openeye Name: (2S)-N-(4-isopropylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide CAS Name: (2S)-2-(4-methyl-1-piperazine-1,4-diiumyl)-N-(4-propan-2-ylphenyl)propanamide IUPAC Name: (2S)-2-(4-methylpiperazine-1,4-diium-1-yl)-N-(4-propan-2-ylphenyl)propanamide Traditional Name: (2S)-2-(4-methylpiperazine-1,4-diium-1-yl)-N-p-cumenyl-propionamide Formula: C17H29N3O+2 MolecularWeight: 291.43166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(C)C)[NH+]2CC[NH+](CC2)C

InChI

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