4-[[6-[(2S,6S)-2,6-dimethylpiperidin-1-yl]pyridin-1-ium-3-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[6-[(2S,6S)-2,6-dimethylpiperidin-1-yl]pyridin-1-ium-3-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[6-[(2S,6S)-2,6-dimethyl-1-piperidyl]pyridin-1-ium-3-yl]amino]-4-oxo-butanoate CAS Name: 4-[[6-[(2S,6S)-2,6-dimethyl-1-piperidinyl]-3-pyridin-1-iumyl]amino]-4-oxobutanoate IUPAC Name: 4-[[6-[(2S,6S)-2,6-dimethylpiperidin-1-yl]pyridin-1-ium-3-yl]amino]-4-oxobutanoate Traditional Name: 4-[[6-[(2S,6S)-2,6-dimethylpiperidino]pyridin-1-ium-3-yl]amino]-4-keto-butyrate Formula: C16H23N3O3 MolecularWeight: 305.37212

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C2=[NH+]C=C(C=C2)NC(=O)CCC(=O)[O-])C

Isomeric SMILES

C[C@H]1CCC[C@@H](N1C2=[NH+]C=C(C=C2)NC(=O)CCC(=O)[O-])C

InChI

InChI=1S/C16H23N3O3/c1-11-4-3-5-12(2)19(11)14-7-6-13(10-17-14)18-15(20)8-9-16(21)22/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,18,20)(H,21,22)/t11-,12-/m0/s1