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

Systemtic Name: 1-(azepan-1-yl)-3-[1-(pyrrolidin-1-ium-1-ylmethyl)indol-3-yl]propan-1-one Openeye Name: 1-(azepan-1-yl)-3-[1-(pyrrolidin-1-ium-1-ylmethyl)indol-3-yl]propan-1-one CAS Name: 1-(1-azepanyl)-3-[1-(1-pyrrolidin-1-iumylmethyl)-3-indolyl]-1-propanone IUPAC Name: 1-(azepan-1-yl)-3-[1-(pyrrolidin-1-ium-1-ylmethyl)indol-3-yl]propan-1-one Traditional Name: 1-(azepan-1-yl)-3-[1-(pyrrolidin-1-ium-1-ylmethyl)indol-3-yl]propan-1-one Formula: C22H32N3O+ MolecularWeight: 354.50898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CCC2=CN(C3=CC=CC=C32)C[NH+]4CCCC4

Isomeric SMILES

C1CCCN(CC1)C(=O)CCC2=CN(C3=CC=CC=C32)C[NH+]4CCCC4

InChI

InChI=1S/C22H31N3O/c26-22(24-15-5-1-2-6-16-24)12-11-19-17-25(18-23-13-7-8-14-23)21-10-4-3-9-20(19)21/h3-4,9-10,17H,1-2,5-8,11-16,18H2/p+1