1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-[4-[(5-methylisoxazol-3-yl)methyl]piperazin-1-ium-1-yl]ethanone CAS Name: 1-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-[4-[(5-methyl-3-isoxazolyl)methyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-[4-[(5-methylisoxazol-3-yl)methyl]piperazin-1-ium-1-yl]ethanone Formula: C25H33N4O2+ MolecularWeight: 421.55512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)C[NH+]3CCN(CC3)CC4=NOC(=C4)C

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)C[NH+]3CCN(CC3)CC4=NOC(=C4)C

InChI

InChI=1S/C25H32N4O2/c1-19-15-24(21(3)29(19)10-9-22-7-5-4-6-8-22)25(30)18-28-13-11-27(12-14-28)17-23-16-20(2)31-26-23/h4-8,15-16H,9-14,17-18H2,1-3H3/p+1