5-(azepan-1-ium-1-ylmethyl)-2-methoxy-aniline

Systemtic Name: 5-(azepan-1-ium-1-ylmethyl)-2-methoxy-aniline Openeye Name: 5-(azepan-1-ium-1-ylmethyl)-2-methoxy-aniline CAS Name: 5-(1-azepan-1-iumylmethyl)-2-methoxyaniline IUPAC Name: 5-(azepan-1-ium-1-ylmethyl)-2-methoxyaniline Traditional Name: [5-(azepan-1-ium-1-ylmethyl)-2-methoxy-phenyl]amine Formula: C14H23N2O+ MolecularWeight: 235.34522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCCCCC2)N

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCCCCC2)N

InChI

InChI=1S/C14H22N2O/c1-17-14-7-6-12(10-13(14)15)11-16-8-4-2-3-5-9-16/h6-7,10H,2-5,8-9,11,15H2,1H3/p+1