[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-4-ium-1-yl]-(4-methoxyphenyl)methanone

Systemtic Name: [4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-4-ium-1-yl]-(4-methoxyphenyl)methanone Openeye Name: [4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-4-ium-1-yl]-(4-methoxyphenyl)methanone CAS Name: [4-[2-(2,5-dimethyl-1-pyrrolyl)ethyl]-1-piperazin-4-iumyl]-(4-methoxyphenyl)methanone IUPAC Name: [4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-4-ium-1-yl]-(4-methoxyphenyl)methanone Traditional Name: [4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-4-ium-1-yl]-(4-methoxyphenyl)methanone Formula: C20H28N3O2+ MolecularWeight: 342.45522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1CC[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=CC=C(N1CC[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C20H27N3O2/c1-16-4-5-17(2)23(16)15-12-21-10-13-22(14-11-21)20(24)18-6-8-19(25-3)9-7-18/h4-9H,10-15H2,1-3H3/p+1