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

Systemtic Name: 5-(azepan-1-ium-1-ylmethyl)-2-methyl-aniline Openeye Name: 5-(azepan-1-ium-1-ylmethyl)-2-methyl-aniline CAS Name: 5-(1-azepan-1-iumylmethyl)-2-methylaniline IUPAC Name: 5-(azepan-1-ium-1-ylmethyl)-2-methylaniline Traditional Name: [5-(azepan-1-ium-1-ylmethyl)-2-methyl-phenyl]amine Formula: C14H23N2+ MolecularWeight: 219.34582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C[NH+]2CCCCCC2)N

Isomeric SMILES

CC1=C(C=C(C=C1)C[NH+]2CCCCCC2)N

InChI

InChI=1S/C14H22N2/c1-12-6-7-13(10-14(12)15)11-16-8-4-2-3-5-9-16/h6-7,10H,2-5,8-9,11,15H2,1H3/p+1