3-chloranyl-N2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]benzene-1,2-diamine

Systemtic Name: 3-chloranyl-N2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]benzene-1,2-diamine Openeye Name: 3-chloro-N2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]benzene-1,2-diamine CAS Name: 3-chloro-N2-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]benzene-1,2-diamine IUPAC Name: 3-chloro-2-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]benzene-1,2-diamine Traditional Name: (2-amino-6-chloro-phenyl)-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]amine Formula: C13H21ClN3+ MolecularWeight: 254.77894

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC2=C(C=CC=C2Cl)N

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC2=C(C=CC=C2Cl)N

InChI

InChI=1S/C13H20ClN3/c1-2-17-8-4-5-10(17)9-16-13-11(14)6-3-7-12(13)15/h3,6-7,10,16H,2,4-5,8-9,15H2,1H3/p+1/t10-/m0/s1