[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate

Systemtic Name: [2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Openeye Name: [2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate CAS Name: 4-(4-morpholin-4-iumylmethyl)benzoic acid [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Traditional Name: 4-(morpholin-4-ium-4-ylmethyl)benzoic acid [2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl] ester Formula: C18H27N2O4+ MolecularWeight: 335.41798

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C1=CC=C(C=C1)C[NH+]2CCOCC2

Isomeric SMILES

CC[C@H](C)NC(=O)COC(=O)C1=CC=C(C=C1)C[NH+]2CCOCC2

InChI

InChI=1S/C18H26N2O4/c1-3-14(2)19-17(21)13-24-18(22)16-6-4-15(5-7-16)12-20-8-10-23-11-9-20/h4-7,14H,3,8-13H2,1-2H3,(H,19,21)/p+1/t14-/m0/s1