4-[[6-[(3S)-3-methylpiperidin-1-yl]pyridin-1-ium-3-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[6-[(3S)-3-methylpiperidin-1-yl]pyridin-1-ium-3-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[6-[(3S)-3-methyl-1-piperidyl]pyridin-1-ium-3-yl]amino]-4-oxo-butanoate CAS Name: 4-[[6-[(3S)-3-methyl-1-piperidinyl]-3-pyridin-1-iumyl]amino]-4-oxobutanoate IUPAC Name: 4-[[6-[(3S)-3-methylpiperidin-1-yl]pyridin-1-ium-3-yl]amino]-4-oxobutanoate Traditional Name: 4-keto-4-[[6-[(3S)-3-methylpiperidino]pyridin-1-ium-3-yl]amino]butyrate Formula: C15H21N3O3 MolecularWeight: 291.34554

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=[NH+]C=C(C=C2)NC(=O)CCC(=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=[NH+]C=C(C=C2)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C15H21N3O3/c1-11-3-2-8-18(10-11)13-5-4-12(9-16-13)17-14(19)6-7-15(20)21/h4-5,9,11H,2-3,6-8,10H2,1H3,(H,17,19)(H,20,21)/t11-/m0/s1