(2S)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]-N-(2-propan-2-ylphenyl)propanamide

Systemtic Name: (2S)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]-N-(2-propan-2-ylphenyl)propanamide Openeye Name: (2S)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2-isopropylphenyl)propanamide CAS Name: (2S)-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]-N-(2-propan-2-ylphenyl)propanamide IUPAC Name: (2S)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2-propan-2-ylphenyl)propanamide Traditional Name: (2S)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-o-cumenyl-propionamide Formula: C23H33N3O+2 MolecularWeight: 367.52762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)C(C)[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1C(C)C)[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O/c1-18(2)21-11-7-8-12-22(21)24-23(27)19(3)26-15-13-25(14-16-26)17-20-9-5-4-6-10-20/h4-12,18-19H,13-17H2,1-3H3,(H,24,27)/p+2/t19-/m0/s1