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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C2=[NH+]C=C(C=C2)NC(=O)CCC(=O)[O-]

Isomeric SMILES

CC[C@H]1CCCCN1C2=[NH+]C=C(C=C2)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C16H23N3O3/c1-2-13-5-3-4-10-19(13)14-7-6-12(11-17-14)18-15(20)8-9-16(21)22/h6-7,11,13H,2-5,8-10H2,1H3,(H,18,20)(H,21,22)/t13-/m0/s1