1-(azepan-1-yl)-2-[4-(1H-indol-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-(1H-indol-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(1H-indole-2-carbonyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[1H-indol-2-yl(oxo)methyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(1H-indole-2-carbonyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(1H-indole-2-carbonyl)piperazin-1-ium-1-yl]ethanone Formula: C21H29N4O2+ MolecularWeight: 369.48056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=CC=CC=C4N3

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=CC=CC=C4N3

InChI

InChI=1S/C21H28N4O2/c26-20(24-9-5-1-2-6-10-24)16-23-11-13-25(14-12-23)21(27)19-15-17-7-3-4-8-18(17)22-19/h3-4,7-8,15,22H,1-2,5-6,9-14,16H2/p+1