1-[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]-4-(4-nitrophenyl)piperazin-1-ium

Systemtic Name: 1-[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]-4-(4-nitrophenyl)piperazin-1-ium Openeye Name: 1-[(1S)-2-(3,4-dimethoxyphenyl)-1-methyl-ethyl]-4-(4-nitrophenyl)piperazin-1-ium CAS Name: 1-[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]-4-(4-nitrophenyl)piperazin-1-ium IUPAC Name: 1-[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]-4-(4-nitrophenyl)piperazin-1-ium Traditional Name: 1-[(1S)-2-(3,4-dimethoxyphenyl)-1-methyl-ethyl]-4-(4-nitrophenyl)piperazin-1-ium Formula: C21H28N3O4+ MolecularWeight: 386.46472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4/c1-16(14-17-4-9-20(27-2)21(15-17)28-3)22-10-12-23(13-11-22)18-5-7-19(8-6-18)24(25)26/h4-9,15-16H,10-14H2,1-3H3/p+1/t16-/m0/s1