1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazine-1,4-diium

Systemtic Name: 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazine-1,4-diium Openeye Name: 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazine-1,4-diium CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazine-1,4-diium IUPAC Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazine-1,4-diium Traditional Name: 1-(3-ethoxy-4-methoxy-benzyl)-4-[(1R,3S)-3-methylcyclohexyl]piperazine-1,4-diium Formula: C21H36N2O2+2 MolecularWeight: 348.52274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CC[NH+](CC2)C3CCCC(C3)C)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CC[NH+](CC2)[C@@H]3CCC[C@@H](C3)C)OC

InChI

InChI=1S/C21H34N2O2/c1-4-25-21-15-18(8-9-20(21)24-3)16-22-10-12-23(13-11-22)19-7-5-6-17(2)14-19/h8-9,15,17,19H,4-7,10-14,16H2,1-3H3/p+2/t17-,19+/m0/s1