1-(azepan-1-yl)-2-[1-(morpholin-4-ium-4-ylmethyl)indol-3-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[1-(morpholin-4-ium-4-ylmethyl)indol-3-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[1-(morpholin-4-ium-4-ylmethyl)indol-3-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[1-(4-morpholin-4-iumylmethyl)-3-indolyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[1-(morpholin-4-ium-4-ylmethyl)indol-3-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[1-(morpholin-4-ium-4-ylmethyl)indol-3-yl]ethanone Formula: C21H30N3O2+ MolecularWeight: 356.4818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CC2=CN(C3=CC=CC=C32)C[NH+]4CCOCC4

Isomeric SMILES

C1CCCN(CC1)C(=O)CC2=CN(C3=CC=CC=C32)C[NH+]4CCOCC4

InChI

InChI=1S/C21H29N3O2/c25-21(23-9-5-1-2-6-10-23)15-18-16-24(17-22-11-13-26-14-12-22)20-8-4-3-7-19(18)20/h3-4,7-8,16H,1-2,5-6,9-15,17H2/p+1