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

Systemtic Name: (2S)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-(4-propan-2-ylphenyl)propanamide Openeye Name: (2S)-N-(4-isopropylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]-N-(4-propan-2-ylphenyl)propanamide IUPAC Name: (2S)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-(4-propan-2-ylphenyl)propanamide Traditional Name: (2S)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-p-cumenyl-propionamide Formula: C22H29N4O3+ MolecularWeight: 397.49066

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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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O3/c1-16(2)18-4-6-19(7-5-18)23-22(27)17(3)24-12-14-25(15-13-24)20-8-10-21(11-9-20)26(28)29/h4-11,16-17H,12-15H2,1-3H3,(H,23,27)/p+1/t17-/m0/s1