N-[(2S)-butan-2-yl]-2-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-[(2S)-butan-2-yl]-2-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: 2-[4-[(4-isopropylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(1S)-1-methylpropyl]acetamide CAS Name: N-[(2S)-butan-2-yl]-2-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-[(2S)-butan-2-yl]-2-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: 2-[4-(4-isopropylbenzyl)piperazine-1,4-diium-1-yl]-N-[(1S)-1-methylpropyl]acetamide Formula: C20H35N3O+2 MolecularWeight: 333.5114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C[NH+]1CC[NH+](CC1)CC2=CC=C(C=C2)C(C)C

Isomeric SMILES

CC[C@H](C)NC(=O)C[NH+]1CC[NH+](CC1)CC2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C20H33N3O/c1-5-17(4)21-20(24)15-23-12-10-22(11-13-23)14-18-6-8-19(9-7-18)16(2)3/h6-9,16-17H,5,10-15H2,1-4H3,(H,21,24)/p+2/t17-/m0/s1