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

Systemtic Name: 5-(azocan-1-ium-1-ylmethyl)-2-chloranyl-aniline Openeye Name: 5-(azocan-1-ium-1-ylmethyl)-2-chloro-aniline CAS Name: 5-(1-azocan-1-iumylmethyl)-2-chloroaniline IUPAC Name: 5-(azocan-1-ium-1-ylmethyl)-2-chloroaniline Traditional Name: [5-(azocan-1-ium-1-ylmethyl)-2-chloro-phenyl]amine Formula: C14H22ClN2+ MolecularWeight: 253.79088

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC2=CC(=C(C=C2)Cl)N

Isomeric SMILES

C1CCC[NH+](CCC1)CC2=CC(=C(C=C2)Cl)N

InChI

InChI=1S/C14H21ClN2/c15-13-7-6-12(10-14(13)16)11-17-8-4-2-1-3-5-9-17/h6-7,10H,1-5,8-9,11,16H2/p+1