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

Systemtic Name: 5-(azepan-1-ium-1-ylmethyl)-2-chloranyl-aniline Openeye Name: 5-(azepan-1-ium-1-ylmethyl)-2-chloro-aniline CAS Name: 5-(1-azepan-1-iumylmethyl)-2-chloroaniline IUPAC Name: 5-(azepan-1-ium-1-ylmethyl)-2-chloroaniline Traditional Name: [5-(azepan-1-ium-1-ylmethyl)-2-chloro-phenyl]amine Formula: C13H20ClN2+ MolecularWeight: 239.7643

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CC(=C(C=C2)Cl)N

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CC(=C(C=C2)Cl)N

InChI

InChI=1S/C13H19ClN2/c14-12-6-5-11(9-13(12)15)10-16-7-3-1-2-4-8-16/h5-6,9H,1-4,7-8,10,15H2/p+1