1-[(2-methoxy-5-methyl-phenyl)methyl]-4-[(1S)-1-(3-nitrophenyl)ethyl]piperazine-1,4-diium

Systemtic Name: 1-[(2-methoxy-5-methyl-phenyl)methyl]-4-[(1S)-1-(3-nitrophenyl)ethyl]piperazine-1,4-diium Openeye Name: 1-[(2-methoxy-5-methyl-phenyl)methyl]-4-[(1S)-1-(3-nitrophenyl)ethyl]piperazine-1,4-diium CAS Name: 1-[(2-methoxy-5-methylphenyl)methyl]-4-[(1S)-1-(3-nitrophenyl)ethyl]piperazine-1,4-diium IUPAC Name: 1-[(2-methoxy-5-methylphenyl)methyl]-4-[(1S)-1-(3-nitrophenyl)ethyl]piperazine-1,4-diium Traditional Name: 1-(2-methoxy-5-methyl-benzyl)-4-[(1S)-1-(3-nitrophenyl)ethyl]piperazine-1,4-diium Formula: C21H29N3O3+2 MolecularWeight: 371.47326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3/c1-16-7-8-21(27-3)19(13-16)15-22-9-11-23(12-10-22)17(2)18-5-4-6-20(14-18)24(25)26/h4-8,13-14,17H,9-12,15H2,1-3H3/p+2/t17-/m0/s1