2-chloranyl-5-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]aniline

Systemtic Name: 2-chloranyl-5-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]aniline Openeye Name: 2-chloro-5-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]aniline CAS Name: 2-chloro-5-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]aniline IUPAC Name: 2-chloro-5-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]aniline Traditional Name: [2-chloro-5-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]phenyl]amine Formula: C13H21ClN3+ MolecularWeight: 254.77894

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC[NH+](CC1)CC2=CC(=C(C=C2)Cl)N

Isomeric SMILES

CN1CCC[NH+](CC1)CC2=CC(=C(C=C2)Cl)N

InChI

InChI=1S/C13H20ClN3/c1-16-5-2-6-17(8-7-16)10-11-3-4-12(14)13(15)9-11/h3-4,9H,2,5-8,10,15H2,1H3/p+1