(E)-1-(4-bromophenyl)-3-[1-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propyl]indol-3-yl]prop-2-en-1-one

Systemtic Name: (E)-1-(4-bromophenyl)-3-[1-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propyl]indol-3-yl]prop-2-en-1-one Openeye Name: (E)-1-(4-bromophenyl)-3-[1-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propyl]indol-3-yl]prop-2-en-1-one CAS Name: (E)-1-(4-bromophenyl)-3-[1-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propyl]-3-indolyl]-2-propen-1-one IUPAC Name: (E)-1-(4-bromophenyl)-3-[1-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropyl]indol-3-yl]prop-2-en-1-one Traditional Name: (E)-1-(4-bromophenyl)-3-[1-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propyl]indol-3-yl]prop-2-en-1-one Formula: C25H28BrN2O2+ MolecularWeight: 468.40602

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(CN2C=C(C3=CC=CC=C32)C=CC(=O)C4=CC=C(C=C4)Br)O

Isomeric SMILES

C1CC[NH+](CC1)C[C@@H](CN2C=C(C3=CC=CC=C32)/C=C/C(=O)C4=CC=C(C=C4)Br)O

InChI

InChI=1S/C25H27BrN2O2/c26-21-11-8-19(9-12-21)25(30)13-10-20-16-28(24-7-3-2-6-23(20)24)18-22(29)17-27-14-4-1-5-15-27/h2-3,6-13,16,22,29H,1,4-5,14-15,17-18H2/p+1/b13-10+/t22-/m0/s1