1-methyl-4-(pyren-1-ylmethyl)-1,4-diazepane-1,4-diium

Systemtic Name: 1-methyl-4-(pyren-1-ylmethyl)-1,4-diazepane-1,4-diium Openeye Name: 1-methyl-4-(pyren-1-ylmethyl)-1,4-diazepane-1,4-diium CAS Name: 1-methyl-4-(1-pyrenylmethyl)-1,4-diazepane-1,4-diium IUPAC Name: 1-methyl-4-(pyren-1-ylmethyl)-1,4-diazepane-1,4-diium Traditional Name: 1-methyl-4-(pyren-1-ylmethyl)-1,4-diazepane-1,4-diium Formula: C23H26N2+2 MolecularWeight: 330.46594

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC[NH+](CC1)CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

Isomeric SMILES

C[NH+]1CCC[NH+](CC1)CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

InChI

InChI=1S/C23H24N2/c1-24-12-3-13-25(15-14-24)16-20-9-8-19-7-6-17-4-2-5-18-10-11-21(20)23(19)22(17)18/h2,4-11H,3,12-16H2,1H3/p+2