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

Systemtic Name: (2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(4-propan-2-ylphenyl)propanamide Openeye Name: (2S)-N-(4-isopropylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-N-(4-propan-2-ylphenyl)propanamide IUPAC Name: (2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(4-propan-2-ylphenyl)propanamide Traditional Name: (2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-p-cumenyl-propionamide Formula: C23H32N3O2+ MolecularWeight: 382.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)C(C)[NH+]2CCN(CC2)C3=CC=CC=C3OC

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(C)C)[NH+]2CCN(CC2)C3=CC=CC=C3OC

InChI

InChI=1S/C23H31N3O2/c1-17(2)19-9-11-20(12-10-19)24-23(27)18(3)25-13-15-26(16-14-25)21-7-5-6-8-22(21)28-4/h5-12,17-18H,13-16H2,1-4H3,(H,24,27)/p+1/t18-/m0/s1