(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-propan-2-ylphenyl)propanamide

Systemtic Name: (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-propan-2-ylphenyl)propanamide Openeye Name: (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-isopropylphenyl)propanamide CAS Name: (2S)-2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-N-(2-propan-2-ylphenyl)propanamide IUPAC Name: (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-propan-2-ylphenyl)propanamide Traditional Name: (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-o-cumenyl-propionamide Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)C(C)[NH+]2CCN(CC2)C3=CC=CC=C3O

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1C(C)C)[NH+]2CCN(CC2)C3=CC=CC=C3O

InChI

InChI=1S/C22H29N3O2/c1-16(2)18-8-4-5-9-19(18)23-22(27)17(3)24-12-14-25(15-13-24)20-10-6-7-11-21(20)26/h4-11,16-17,26H,12-15H2,1-3H3,(H,23,27)/p+1/t17-/m0/s1