3-(azepan-1-ium-1-ylmethyl)-4-chloranyl-aniline

Systemtic Name: 3-(azepan-1-ium-1-ylmethyl)-4-chloranyl-aniline Openeye Name: 3-(azepan-1-ium-1-ylmethyl)-4-chloro-aniline CAS Name: 3-(1-azepan-1-iumylmethyl)-4-chloroaniline IUPAC Name: 3-(azepan-1-ium-1-ylmethyl)-4-chloroaniline Traditional Name: [3-(azepan-1-ium-1-ylmethyl)-4-chloro-phenyl]amine Formula: C13H20ClN2+ MolecularWeight: 239.7643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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