N-(2,6-dimethylheptan-4-ylideneamino)-3-(4-phenylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: N-(2,6-dimethylheptan-4-ylideneamino)-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-[(1-isobutyl-3-methyl-butylidene)amino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide CAS Name: N-(2,6-dimethylheptan-4-ylideneamino)-3-(4-phenyl-1-piperazin-1-iumyl)propanamide IUPAC Name: N-(2,6-dimethylheptan-4-ylideneamino)-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-[(1-isobutyl-3-methyl-butylidene)amino]-3-(4-phenylpiperazin-1-ium-1-yl)propionamide Formula: C22H37N4O+ MolecularWeight: 373.55538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=NNC(=O)CC[NH+]1CCN(CC1)C2=CC=CC=C2)CC(C)C

Isomeric SMILES

CC(C)CC(=NNC(=O)CC[NH+]1CCN(CC1)C2=CC=CC=C2)CC(C)C

InChI

InChI=1S/C22H36N4O/c1-18(2)16-20(17-19(3)4)23-24-22(27)10-11-25-12-14-26(15-13-25)21-8-6-5-7-9-21/h5-9,18-19H,10-17H2,1-4H3,(H,24,27)/p+1