3-[1-(azepan-1-ium-1-ylmethyl)indol-3-yl]-1-morpholin-4-yl-propan-1-one

Systemtic Name: 3-[1-(azepan-1-ium-1-ylmethyl)indol-3-yl]-1-morpholin-4-yl-propan-1-one Openeye Name: 3-[1-(azepan-1-ium-1-ylmethyl)indol-3-yl]-1-morpholino-propan-1-one CAS Name: 3-[1-(1-azepan-1-iumylmethyl)-3-indolyl]-1-(4-morpholinyl)-1-propanone IUPAC Name: 3-[1-(azepan-1-ium-1-ylmethyl)indol-3-yl]-1-morpholin-4-ylpropan-1-one Traditional Name: 3-[1-(azepan-1-ium-1-ylmethyl)indol-3-yl]-1-morpholino-propan-1-one Formula: C22H32N3O2+ MolecularWeight: 370.50838

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CN2C=C(C3=CC=CC=C32)CCC(=O)N4CCOCC4

Isomeric SMILES

C1CCC[NH+](CC1)CN2C=C(C3=CC=CC=C32)CCC(=O)N4CCOCC4

InChI

InChI=1S/C22H31N3O2/c26-22(24-13-15-27-16-14-24)10-9-19-17-25(21-8-4-3-7-20(19)21)18-23-11-5-1-2-6-12-23/h3-4,7-8,17H,1-2,5-6,9-16,18H2/p+1