[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-methoxy-phenyl]methyl-pentan-3-yl-azanium

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-methoxy-phenyl]methyl-pentan-3-yl-azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-3-chloro-5-methoxy-phenyl]methyl-(1-ethylpropyl)ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-pentan-3-ylammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-pentan-3-ylazanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-3-chloro-5-methoxy-benzyl]-(1-ethylpropyl)ammonium Formula: C15H24ClN2O3+ MolecularWeight: 315.81566

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH2+]CC1=CC(=C(C(=C1)Cl)OCC(=O)N)OC

Isomeric SMILES

CCC(CC)[NH2+]CC1=CC(=C(C(=C1)Cl)OCC(=O)N)OC

InChI

InChI=1S/C15H23ClN2O3/c1-4-11(5-2)18-8-10-6-12(16)15(13(7-10)20-3)21-9-14(17)19/h6-7,11,18H,4-5,8-9H2,1-3H3,(H2,17,19)/p+1