2-(3-methoxy-4-prop-2-ynoxy-phenyl)-1,3-bis(phenylmethyl)-1,3-diazinane-1,3-diium

Systemtic Name: 2-(3-methoxy-4-prop-2-ynoxy-phenyl)-1,3-bis(phenylmethyl)-1,3-diazinane-1,3-diium Openeye Name: 1,3-dibenzyl-2-(3-methoxy-4-prop-2-ynoxy-phenyl)hexahydropyrimidine-1,3-diium CAS Name: 2-(3-methoxy-4-prop-2-ynoxyphenyl)-1,3-bis(phenylmethyl)-1,3-diazinane-1,3-diium IUPAC Name: 1,3-dibenzyl-2-(3-methoxy-4-prop-2-ynoxyphenyl)-1,3-diazinane-1,3-diium Traditional Name: 1,3-dibenzyl-2-(3-methoxy-4-propargyloxy-phenyl)hexahydropyrimidine-1,3-diium Formula: C28H32N2O2+2 MolecularWeight: 428.56588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2[NH+](CCC[NH+]2CC3=CC=CC=C3)CC4=CC=CC=C4)OCC#C

Isomeric SMILES

COC1=C(C=CC(=C1)C2[NH+](CCC[NH+]2CC3=CC=CC=C3)CC4=CC=CC=C4)OCC#C

InChI

InChI=1S/C28H30N2O2/c1-3-19-32-26-16-15-25(20-27(26)31-2)28-29(21-23-11-6-4-7-12-23)17-10-18-30(28)22-24-13-8-5-9-14-24/h1,4-9,11-16,20,28H,10,17-19,21-22H2,2H3/p+2