[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl]-[(4-ethoxy-3-methoxy-phenyl)methyl]-methyl-azanium

Systemtic Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl]-[(4-ethoxy-3-methoxy-phenyl)methyl]-methyl-azanium Openeye Name: (4-ethoxy-3-methoxy-phenyl)methyl-methyl-[2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl]ammonium CAS Name: [2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl]-[(4-ethoxy-3-methoxyphenyl)methyl]-methylammonium IUPAC Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium Traditional Name: (4-ethoxy-3-methoxy-benzyl)-[2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl]-methyl-ammonium Formula: C18H30N3O4+ MolecularWeight: 352.4485

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)C[NH+](C)CC1=CC(=C(C=C1)OCC)OC

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)C[NH+](C)CC1=CC(=C(C=C1)OCC)OC

InChI

InChI=1S/C18H29N3O4/c1-6-13(3)19-18(23)20-17(22)12-21(4)11-14-8-9-15(25-7-2)16(10-14)24-5/h8-10,13H,6-7,11-12H2,1-5H3,(H2,19,20,22,23)/p+1/t13-/m0/s1