3-methoxy-4-[(1S,2R)-2-(4-methylpiperazin-4-ium-1-yl)cyclohexyl]oxy-benzaldehyde

Systemtic Name: 3-methoxy-4-[(1S,2R)-2-(4-methylpiperazin-4-ium-1-yl)cyclohexyl]oxy-benzaldehyde Openeye Name: 3-methoxy-4-[(1S,2R)-2-(4-methylpiperazin-4-ium-1-yl)cyclohexoxy]benzaldehyde CAS Name: 3-methoxy-4-[(1S,2R)-2-(4-methyl-1-piperazin-4-iumyl)cyclohexyl]oxybenzaldehyde IUPAC Name: 3-methoxy-4-[(1S,2R)-2-(4-methylpiperazin-4-ium-1-yl)cyclohexyl]oxybenzaldehyde Traditional Name: 3-methoxy-4-[(1S,2R)-2-(4-methylpiperazin-4-ium-1-yl)cyclohexoxy]benzaldehyde Formula: C19H29N2O3+ MolecularWeight: 333.44516

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2CCCCC2OC3=C(C=C(C=C3)C=O)OC

Isomeric SMILES

C[NH+]1CCN(CC1)[C@@H]2CCCC[C@@H]2OC3=C(C=C(C=C3)C=O)OC

InChI

InChI=1S/C19H28N2O3/c1-20-9-11-21(12-10-20)16-5-3-4-6-17(16)24-18-8-7-15(14-22)13-19(18)23-2/h7-8,13-14,16-17H,3-6,9-12H2,1-2H3/p+1/t16-,17+/m1/s1