4-(15-butyl-10,20-diphenyl-23,24-dihydroporphyrin-5-yl)butyl-triethyl-azanium

Systemtic Name: 4-(15-butyl-10,20-diphenyl-23,24-dihydroporphyrin-5-yl)butyl-triethyl-azanium Openeye Name: 4-(15-butyl-10,20-diphenyl-23,24-dihydroporphyrin-5-yl)butyl-triethyl-ammonium CAS Name: 4-(15-butyl-10,20-diphenyl-23,24-dihydroporphyrin-5-yl)butyl-triethylammonium IUPAC Name: 4-(15-butyl-10,20-diphenyl-23,24-dihydroporphyrin-5-yl)butyl-triethylazanium Traditional Name: 4-(15-butyl-10,20-diphenyl-23,24-dihydroporphin-5-yl)butyl-triethyl-ammonium Formula: C46H52N5+ MolecularWeight: 674.93858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C=CC(=C(C3=NC(=C(C4=NC(=C(C5=CC=C1N5)C6=CC=CC=C6)C=C4)CCCC[N+](CC)(CC)CC)C=C3)C7=CC=CC=C7)N2

Isomeric SMILES

CCCCC1=C2C=CC(=C(C3=NC(=C(C4=NC(=C(C5=CC=C1N5)C6=CC=CC=C6)C=C4)CCCC[N+](CC)(CC)CC)C=C3)C7=CC=CC=C7)N2

InChI

InChI=1S/C46H52N5/c1-5-9-22-35-37-24-28-41(47-37)45(33-18-12-10-13-19-33)43-30-26-39(49-43)36(23-16-17-32-51(6-2,7-3)8-4)40-27-31-44(50-40)46(34-20-14-11-15-21-34)42-29-25-38(35)48-42/h10-15,18-21,24-31,47-48H,5-9,16-17,22-23,32H2,1-4H3/q+1