1-(3-cyclopentyloxy-4-methoxy-phenyl)-N-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexane-1-carbonitrilium

Systemtic Name: 1-(3-cyclopentyloxy-4-methoxy-phenyl)-N-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexane-1-carbonitrilium Openeye Name: 3-tert-butoxycarbonyl-1-[3-(cyclopentoxy)-4-methoxy-phenyl]-N-methyl-cyclohexanecarbonitrilium CAS Name: 1-(3-cyclopentyloxy-4-methoxyphenyl)-N-methyl-3-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-cyclohexanecarbonitrilium IUPAC Name: 1-(3-cyclopentyloxy-4-methoxyphenyl)-N-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexane-1-carbonitrilium Traditional Name: 3-tert-butoxycarbonyl-1-[3-(cyclopentoxy)-4-methoxy-phenyl]-N-methyl-cyclohexanecarbonitrilium Formula: C25H36NO4+ MolecularWeight: 414.55764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCCC(C1)(C#[N+]C)C2=CC(=C(C=C2)OC)OC3CCCC3

Isomeric SMILES

CC(C)(C)OC(=O)C1CCCC(C1)(C#[N+]C)C2=CC(=C(C=C2)OC)OC3CCCC3

InChI

InChI=1S/C25H36NO4/c1-24(2,3)30-23(27)18-9-8-14-25(16-18,17-26-4)19-12-13-21(28-5)22(15-19)29-20-10-6-7-11-20/h12-13,15,18,20H,6-11,14,16H2,1-5H3/q+1