2-(2-methoxynaphthalen-1-yl)-1,3-bis(phenylmethyl)-1,3-diazinane-1,3-diium

Systemtic Name: 2-(2-methoxynaphthalen-1-yl)-1,3-bis(phenylmethyl)-1,3-diazinane-1,3-diium Openeye Name: 1,3-dibenzyl-2-(2-methoxy-1-naphthyl)hexahydropyrimidine-1,3-diium CAS Name: 2-(2-methoxy-1-naphthalenyl)-1,3-bis(phenylmethyl)-1,3-diazinane-1,3-diium IUPAC Name: 1,3-dibenzyl-2-(2-methoxynaphthalen-1-yl)-1,3-diazinane-1,3-diium Traditional Name: 1,3-dibenzyl-2-(2-methoxy-1-naphthyl)hexahydropyrimidine-1,3-diium Formula: C29H32N2O+2 MolecularWeight: 424.57718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=CC=CC=C2C=C1)C3[NH+](CCC[NH+]3CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

COC1=C(C2=CC=CC=C2C=C1)C3[NH+](CCC[NH+]3CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C29H30N2O/c1-32-27-18-17-25-15-8-9-16-26(25)28(27)29-30(21-23-11-4-2-5-12-23)19-10-20-31(29)22-24-13-6-3-7-14-24/h2-9,11-18,29H,10,19-22H2,1H3/p+2