[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]-(3-nitro-4-piperidin-1-yl-phenyl)methanone

Systemtic Name: [4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]-(3-nitro-4-piperidin-1-yl-phenyl)methanone Openeye Name: [4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]-[3-nitro-4-(1-piperidyl)phenyl]methanone CAS Name: [4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazin-4-iumyl]-[3-nitro-4-(1-piperidinyl)phenyl]methanone IUPAC Name: [4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-4-ium-1-yl]-(3-nitro-4-piperidin-1-ylphenyl)methanone Traditional Name: [4-(4,5-dimethoxy-2-methyl-benzyl)piperazin-4-ium-1-yl]-(3-nitro-4-piperidino-phenyl)methanone Formula: C26H35N4O5+ MolecularWeight: 483.5799

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C26H34N4O5/c1-19-15-24(34-2)25(35-3)17-21(19)18-27-11-13-29(14-12-27)26(31)20-7-8-22(23(16-20)30(32)33)28-9-5-4-6-10-28/h7-8,15-17H,4-6,9-14,18H2,1-3H3/p+1