4-bromanyl-N1-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]benzene-1,2-diamine

Systemtic Name: 4-bromanyl-N1-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]benzene-1,2-diamine Openeye Name: 4-bromo-N1-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]benzene-1,2-diamine CAS Name: 4-bromo-N1-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]benzene-1,2-diamine IUPAC Name: 4-bromo-1-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]benzene-1,2-diamine Traditional Name: (2-amino-4-bromo-phenyl)-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]amine Formula: C15H25BrN3+ MolecularWeight: 327.2831

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC2=C(C=C(C=C2)Br)N

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC2=C(C=C(C=C2)Br)N

InChI

InChI=1S/C15H24BrN3/c1-12-5-2-3-9-19(12)10-4-8-18-15-7-6-13(16)11-14(15)17/h6-7,11-12,18H,2-5,8-10,17H2,1H3/p+1/t12-/m0/s1