[4-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]methylazanium

Systemtic Name: [4-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]methylazanium Openeye Name: [4-[2-(azepan-1-yl)-2-oxo-ethoxy]-3-methoxy-phenyl]methylammonium CAS Name: [4-[2-(1-azepanyl)-2-oxoethoxy]-3-methoxyphenyl]methylammonium IUPAC Name: [4-[2-(azepan-1-yl)-2-oxoethoxy]-3-methoxyphenyl]methylazanium Traditional Name: [4-[2-(azepan-1-yl)-2-keto-ethoxy]-3-methoxy-benzyl]ammonium Formula: C16H25N2O3+ MolecularWeight: 293.3813

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH3+])OCC(=O)N2CCCCCC2

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH3+])OCC(=O)N2CCCCCC2

InChI

InChI=1S/C16H24N2O3/c1-20-15-10-13(11-17)6-7-14(15)21-12-16(19)18-8-4-2-3-5-9-18/h6-7,10H,2-5,8-9,11-12,17H2,1H3/p+1