2-[4-[2-(5-methoxyindol-1-yl)ethanoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[2-(5-methoxyindol-1-yl)ethanoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[2-(5-methoxyindol-1-yl)acetyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[2-(5-methoxy-1-indolyl)-1-oxoethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[2-(5-methoxyindol-1-yl)acetyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[2-(5-methoxyindol-1-yl)acetyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C21H29N4O3+ MolecularWeight: 385.47996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2)CC(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2)CC(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C21H28N4O3/c1-28-18-4-5-19-17(14-18)6-9-25(19)16-21(27)24-12-10-22(11-13-24)15-20(26)23-7-2-3-8-23/h4-6,9,14H,2-3,7-8,10-13,15-16H2,1H3/p+1