[1-(4-ethoxyphenyl)-2-methyl-5-phenyl-pyrrol-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [1-(4-ethoxyphenyl)-2-methyl-5-phenyl-pyrrol-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-(4-ethoxyphenyl)-2-methyl-5-phenyl-pyrrol-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [1-(4-ethoxyphenyl)-2-methyl-5-phenyl-3-pyrrolyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-(4-ethoxyphenyl)-2-methyl-5-phenylpyrrol-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-(2-methyl-5-phenyl-1-p-phenetyl-pyrrol-3-yl)methanone Formula: C26H32N3O2+ MolecularWeight: 418.55118

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=C(N(C(=C2)C3=CC=CC=C3)C4=CC=C(C=C4)OCC)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=C(N(C(=C2)C3=CC=CC=C3)C4=CC=C(C=C4)OCC)C

InChI

InChI=1S/C26H31N3O2/c1-4-27-15-17-28(18-16-27)26(30)24-19-25(21-9-7-6-8-10-21)29(20(24)3)22-11-13-23(14-12-22)31-5-2/h6-14,19H,4-5,15-18H2,1-3H3/p+1