cyclohexyl-[5-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-1H-pyrrol-3-yl]methanone

Systemtic Name: cyclohexyl-[5-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-1H-pyrrol-3-yl]methanone Openeye Name: [5-(4-benzylpiperazin-4-ium-1-carbonyl)-1H-pyrrol-3-yl]-cyclohexyl-methanone CAS Name: cyclohexyl-[5-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-1H-pyrrol-3-yl]methanone IUPAC Name: [5-(4-benzylpiperazin-4-ium-1-carbonyl)-1H-pyrrol-3-yl]-cyclohexylmethanone Traditional Name: [5-(4-benzylpiperazin-4-ium-1-carbonyl)-1H-pyrrol-3-yl]-cyclohexyl-methanone Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)C2=CNC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C(=O)C2=CNC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H29N3O2/c27-22(19-9-5-2-6-10-19)20-15-21(24-16-20)23(28)26-13-11-25(12-14-26)17-18-7-3-1-4-8-18/h1,3-4,7-8,15-16,19,24H,2,5-6,9-14,17H2/p+1