trimethyl-[3-[4-(15-undecyl-21,22-dihydroporphyrin-5-yl)phenoxy]propyl]azanium

Systemtic Name: trimethyl-[3-[4-(15-undecyl-21,22-dihydroporphyrin-5-yl)phenoxy]propyl]azanium Openeye Name: trimethyl-[3-[4-(15-undecyl-21,22-dihydroporphyrin-5-yl)phenoxy]propyl]ammonium CAS Name: trimethyl-[3-[4-(15-undecyl-21,22-dihydroporphyrin-5-yl)phenoxy]propyl]ammonium IUPAC Name: trimethyl-[3-[4-(15-undecyl-21,22-dihydroporphyrin-5-yl)phenoxy]propyl]azanium Traditional Name: trimethyl-[3-[4-(15-undecyl-21,22-dihydroporphin-5-yl)phenoxy]propyl]ammonium Formula: C43H54N5O+ MolecularWeight: 656.92176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=C2C=CC(=N2)C=C3C=CC(=C(C4=CC=C(N4)C=C5C=CC1=N5)C6=CC=C(C=C6)OCCC[N+](C)(C)C)N3

Isomeric SMILES

CCCCCCCCCCCC1=C2C=CC(=N2)C=C3C=CC(=C(C4=CC=C(N4)C=C5C=CC1=N5)C6=CC=C(C=C6)OCCC[N+](C)(C)C)N3

InChI

InChI=1S/C43H54N5O/c1-5-6-7-8-9-10-11-12-13-15-38-39-24-18-33(44-39)30-35-20-26-41(46-35)43(42-27-21-36(47-42)31-34-19-25-40(38)45-34)32-16-22-37(23-17-32)49-29-14-28-48(2,3)4/h16-27,30-31,46-47H,5-15,28-29H2,1-4H3/q+1