2-[(1S)-1-(4-azanylpiperidin-1-ium-1-yl)propyl]-4-bromanyl-phenol

Systemtic Name: 2-[(1S)-1-(4-azanylpiperidin-1-ium-1-yl)propyl]-4-bromanyl-phenol Openeye Name: 2-[(1S)-1-(4-aminopiperidin-1-ium-1-yl)propyl]-4-bromo-phenol CAS Name: 2-[(1S)-1-(4-amino-1-piperidin-1-iumyl)propyl]-4-bromophenol IUPAC Name: 2-[(1S)-1-(4-aminopiperidin-1-ium-1-yl)propyl]-4-bromophenol Traditional Name: 2-[(1S)-1-(4-aminopiperidin-1-ium-1-yl)propyl]-4-bromo-phenol Formula: C14H22BrN2O+ MolecularWeight: 314.24128

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=CC(=C1)Br)O)[NH+]2CCC(CC2)N

Isomeric SMILES

CC[C@@H](C1=C(C=CC(=C1)Br)O)[NH+]2CCC(CC2)N

InChI

InChI=1S/C14H21BrN2O/c1-2-13(17-7-5-11(16)6-8-17)12-9-10(15)3-4-14(12)18/h3-4,9,11,13,18H,2,5-8,16H2,1H3/p+1/t13-/m0/s1