1,4-bis[2,6-bis(azanyl)hexanoyl]pyrrolo[3,2-b]pyridin-4-ium-6-olate

Systemtic Name: 1,4-bis[2,6-bis(azanyl)hexanoyl]pyrrolo[3,2-b]pyridin-4-ium-6-olate Openeye Name: 1,4-bis(2,6-diaminohexanoyl)pyrrolo[3,2-b]pyridin-4-ium-6-olate CAS Name: 1,4-bis(2,6-diamino-1-oxohexyl)-6-pyrrolo[3,2-b]pyridin-4-iumolate IUPAC Name: 1,4-bis(2,6-diaminohexanoyl)pyrrolo[3,2-b]pyridin-4-ium-6-olate Traditional Name: 1,4-bis(2,6-diaminohexanoyl)pyrrolo[3,2-b]pyridin-4-ium-6-olate Formula: C19H30N6O3 MolecularWeight: 390.4799

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C2=CC(=C[N+](=C21)C(=O)C(CCCCN)N)[O-])C(=O)C(CCCCN)N

Isomeric SMILES

C1=CN(C2=CC(=C[N+](=C21)C(=O)C(CCCCN)N)[O-])C(=O)C(CCCCN)N

InChI

InChI=1S/C19H30N6O3/c20-8-3-1-5-14(22)18(27)24-10-7-16-17(24)11-13(26)12-25(16)19(28)15(23)6-2-4-9-21/h7,10-12,14-15H,1-6,8-9,20-23H2