(2S)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-methyl-6-propan-2-yl-phenyl)propanamide

Systemtic Name: (2S)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-methyl-6-propan-2-yl-phenyl)propanamide Openeye Name: (2S)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-isopropyl-6-methyl-phenyl)propanamide CAS Name: (2S)-2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-N-(2-methyl-6-propan-2-ylphenyl)propanamide IUPAC Name: (2S)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)propanamide Traditional Name: (2S)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-isopropyl-6-methyl-phenyl)propionamide Formula: C23H31ClN3O+ MolecularWeight: 400.96474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)C(C)[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)[C@H](C)[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C23H30ClN3O/c1-16(2)21-10-5-7-17(3)22(21)25-23(28)18(4)26-11-13-27(14-12-26)20-9-6-8-19(24)15-20/h5-10,15-16,18H,11-14H2,1-4H3,(H,25,28)/p+1/t18-/m0/s1