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

Systemtic Name: (E)-3-[1-[(2R)-3-(azepan-1-ium-1-yl)-2-oxidanyl-propyl]indol-3-yl]-1-thiophen-2-yl-prop-2-en-1-one Openeye Name: (E)-3-[1-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxy-propyl]indol-3-yl]-1-(2-thienyl)prop-2-en-1-one CAS Name: (E)-3-[1-[(2R)-3-(1-azepan-1-iumyl)-2-hydroxypropyl]-3-indolyl]-1-thiophen-2-yl-2-propen-1-one IUPAC Name: (E)-3-[1-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxypropyl]indol-3-yl]-1-thiophen-2-ylprop-2-en-1-one Traditional Name: (E)-3-[1-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxy-propyl]indol-3-yl]-1-(2-thienyl)prop-2-en-1-one Formula: C24H29N2O2S+ MolecularWeight: 409.56426

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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=CS4)O

Isomeric SMILES

C1CCC[NH+](CC1)C[C@@H](CN2C=C(C3=CC=CC=C32)/C=C/C(=O)C4=CC=CS4)O

InChI

InChI=1S/C24H28N2O2S/c27-20(17-25-13-5-1-2-6-14-25)18-26-16-19(21-8-3-4-9-22(21)26)11-12-23(28)24-10-7-15-29-24/h3-4,7-12,15-16,20,27H,1-2,5-6,13-14,17-18H2/p+1/b12-11+/t20-/m0/s1