1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-(naphthalen-1-ylmethyl)piperazin-1-ium

Systemtic Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-(naphthalen-1-ylmethyl)piperazin-1-ium Openeye Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-(1-naphthylmethyl)piperazin-1-ium CAS Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-(1-naphthalenylmethyl)piperazin-1-ium IUPAC Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-(naphthalen-1-ylmethyl)piperazin-1-ium Traditional Name: 1-(4,5-dimethoxy-2-nitro-benzyl)-4-(1-naphthylmethyl)piperazin-1-ium Formula: C24H28N3O4+ MolecularWeight: 422.49682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C[NH+]2CCN(CC2)CC3=CC=CC4=CC=CC=C43)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C[NH+]2CCN(CC2)CC3=CC=CC4=CC=CC=C43)[N+](=O)[O-])OC

InChI

InChI=1S/C24H27N3O4/c1-30-23-14-20(22(27(28)29)15-24(23)31-2)17-26-12-10-25(11-13-26)16-19-8-5-7-18-6-3-4-9-21(18)19/h3-9,14-15H,10-13,16-17H2,1-2H3/p+1