2-azanyl-N1,N4-bis[3-azanyl-4-[(1-ethylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide

Systemtic Name: 2-azanyl-N1,N4-bis[3-azanyl-4-[(1-ethylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide Openeye Name: 2-amino-N1,N4-bis[3-amino-4-[(1-ethylpyridin-1-ium-3-yl)carbamoyl]phenyl]terephthalamide CAS Name: 2-amino-N1,N4-bis[3-amino-4-[[(1-ethyl-3-pyridin-1-iumyl)amino]-oxomethyl]phenyl]benzene-1,4-dicarboxamide IUPAC Name: 2-amino-1-N,4-N-bis[3-amino-4-[(1-ethylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide Traditional Name: 2-amino-N,N'-bis[3-amino-4-[(1-ethylpyridin-1-ium-3-yl)carbamoyl]phenyl]terephthalamide Formula: C36H37N9O4+2 MolecularWeight: 659.73688

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=CC(=C1)NC(=O)C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C(=O)NC4=CC(=C(C=C4)C(=O)NC5=C[N+](=CC=C5)CC)N)N)N

Isomeric SMILES

CC[N+]1=CC=CC(=C1)NC(=O)C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C(=O)NC4=CC(=C(C=C4)C(=O)NC5=C[N+](=CC=C5)CC)N)N)N

InChI

InChI=1S/C36H35N9O4/c1-3-44-15-5-7-25(20-44)42-35(48)28-13-10-23(18-31(28)38)40-33(46)22-9-12-27(30(37)17-22)34(47)41-24-11-14-29(32(39)19-24)36(49)43-26-8-6-16-45(4-2)21-26/h5-21H,3-4H2,1-2H3,(H8-2,37,38,39,40,41,42,43,46,47,48,49)/p+2