21,22-dihydroporphyrin; 1,2,3,4-tetramethylpyridin-1-ium

Systemtic Name: 21,22-dihydroporphyrin; 1,2,3,4-tetramethylpyridin-1-ium Openeye Name: 21,22-dihydroporphyrin; 1,2,3,4-tetramethylpyridin-1-ium CAS Name: 21,22-dihydroporphyrin; 1,2,3,4-tetramethylpyridin-1-ium IUPAC Name: 21,22-dihydroporphyrin; 1,2,3,4-tetramethylpyridin-1-ium Traditional Name: 21,22-dihydroporphine; 1,2,3,4-tetramethylpyridin-1-ium Formula: C29H28N5+ MolecularWeight: 446.56612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=[N+](C=C1)C)C)C.C1=CC2=CC3=CC=C(N3)C=C4C=CC(=N4)C=C5C=CC(=N5)C=C1N2

Isomeric SMILES

CC1=C(C(=[N+](C=C1)C)C)C.C1=CC2=CC3=CC=C(N3)C=C4C=CC(=N4)C=C5C=CC(=N5)C=C1N2

InChI

InChI=1S/C20H14N4.C9H14N/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;1-7-5-6-10(4)9(3)8(7)2/h1-12,21-22H;5-6H,1-4H3/q;+1