2-[4-[1-(phenylmethyl)indol-3-yl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[1-(phenylmethyl)indol-3-yl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(1-benzylindole-3-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[oxo-[1-(phenylmethyl)-3-indolyl]methyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(1-benzylindole-3-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(1-benzylindole-3-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C26H31N4O2+ MolecularWeight: 431.54994

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CN(C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CN(C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C26H30N4O2/c31-25(28-12-6-7-13-28)20-27-14-16-29(17-15-27)26(32)23-19-30(18-21-8-2-1-3-9-21)24-11-5-4-10-22(23)24/h1-5,8-11,19H,6-7,12-18,20H2/p+1