bis[3-(dimethylazaniumyl)propyl]-(pyren-1-ylmethyl)azanium

Systemtic Name: bis[3-(dimethylazaniumyl)propyl]-(pyren-1-ylmethyl)azanium Openeye Name: bis[3-(dimethylammonio)propyl]-(pyren-1-ylmethyl)ammonium CAS Name: bis[3-(dimethylammonio)propyl]-(1-pyrenylmethyl)ammonium IUPAC Name: bis[3-(dimethylazaniumyl)propyl]-(pyren-1-ylmethyl)azanium Traditional Name: bis[3-(dimethylammonio)propyl]-(pyren-1-ylmethyl)ammonium Formula: C27H38N3+3 MolecularWeight: 404.61072

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC[NH+](CCC[NH+](C)C)CC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

Isomeric SMILES

C[NH+](C)CCC[NH+](CCC[NH+](C)C)CC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

InChI

InChI=1S/C27H35N3/c1-28(2)16-6-18-30(19-7-17-29(3)4)20-24-13-12-23-11-10-21-8-5-9-22-14-15-25(24)27(23)26(21)22/h5,8-15H,6-7,16-20H2,1-4H3/p+3