(2R)-N-methyl-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-(phenylmethyl)propanamide

Systemtic Name: (2R)-N-methyl-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-(phenylmethyl)propanamide Openeye Name: (2R)-N-benzyl-N-methyl-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-methyl-2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]-N-(phenylmethyl)propanamide IUPAC Name: (2R)-N-benzyl-N-methyl-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-benzyl-N-methyl-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propionamide Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3/c1-17(21(26)22(2)16-18-6-4-3-5-7-18)23-12-14-24(15-13-23)19-8-10-20(11-9-19)25(27)28/h3-11,17H,12-16H2,1-2H3/p+1/t17-/m1/s1