21,22-dihydroporphyrin; pyridin-1-ium

Systemtic Name: 21,22-dihydroporphyrin; pyridin-1-ium Openeye Name: 21,22-dihydroporphyrin; pyridin-1-ium CAS Name: 21,22-dihydroporphyrin; pyridin-1-ium IUPAC Name: 21,22-dihydroporphyrin; pyridin-1-ium Traditional Name: 21,22-dihydroporphine; pyridin-1-ium Formula: C40H38N8+4 MolecularWeight: 630.78332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C=C1.C1=CC=[NH+]C=C1.C1=CC=[NH+]C=C1.C1=CC=[NH+]C=C1.C1=CC2=CC3=CC=C(N3)C=C4C=CC(=N4)C=C5C=CC(=N5)C=C1N2

Isomeric SMILES

C1=CC=[NH+]C=C1.C1=CC=[NH+]C=C1.C1=CC=[NH+]C=C1.C1=CC=[NH+]C=C1.C1=CC2=CC3=CC=C(N3)C=C4C=CC(=N4)C=C5C=CC(=N5)C=C1N2

InChI

InChI=1S/C20H14N4.4C5H5N/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14;4*1-2-4-6-5-3-1/h1-12,21-22H;4*1-5H/p+4