4-[[6-[bis(prop-2-enyl)amino]pyridin-1-ium-3-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[6-[bis(prop-2-enyl)amino]pyridin-1-ium-3-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[6-(diallylamino)pyridin-1-ium-3-yl]amino]-4-oxo-butanoate CAS Name: 4-[[6-[bis(prop-2-enyl)amino]-3-pyridin-1-iumyl]amino]-4-oxobutanoate IUPAC Name: 4-[[6-[bis(prop-2-enyl)amino]pyridin-1-ium-3-yl]amino]-4-oxobutanoate Traditional Name: 4-[[6-(diallylamino)pyridin-1-ium-3-yl]amino]-4-keto-butyrate Formula: C15H19N3O3 MolecularWeight: 289.32966

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC=C)C1=[NH+]C=C(C=C1)NC(=O)CCC(=O)[O-]

Isomeric SMILES

C=CCN(CC=C)C1=[NH+]C=C(C=C1)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C15H19N3O3/c1-3-9-18(10-4-2)13-6-5-12(11-16-13)17-14(19)7-8-15(20)21/h3-6,11H,1-2,7-10H2,(H,17,19)(H,20,21)