(E)-3-[1-[(2R)-3-(azepan-1-ium-1-yl)-2-oxidanyl-propyl]indol-3-yl]-1-phenyl-prop-2-en-1-one

Systemtic Name: (E)-3-[1-[(2R)-3-(azepan-1-ium-1-yl)-2-oxidanyl-propyl]indol-3-yl]-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-[1-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxy-propyl]indol-3-yl]-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[1-[(2R)-3-(1-azepan-1-iumyl)-2-hydroxypropyl]-3-indolyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-[1-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxypropyl]indol-3-yl]-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[1-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxy-propyl]indol-3-yl]-1-phenyl-prop-2-en-1-one Formula: C26H31N2O2+ MolecularWeight: 403.53654

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(CN2C=C(C3=CC=CC=C32)C=CC(=O)C4=CC=CC=C4)O

Isomeric SMILES

C1CCC[NH+](CC1)C[C@@H](CN2C=C(C3=CC=CC=C32)/C=C/C(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C26H30N2O2/c29-23(19-27-16-8-1-2-9-17-27)20-28-18-22(24-12-6-7-13-25(24)28)14-15-26(30)21-10-4-3-5-11-21/h3-7,10-15,18,23,29H,1-2,8-9,16-17,19-20H2/p+1/b15-14+/t23-/m0/s1