1-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)ethanone CAS Name: 1-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-o-phenetylpiperazin-1-ium-1-yl)ethanone Formula: C23H34N3O2+ MolecularWeight: 384.53496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)C3=C(N(C(=C3)C)C(C)C)C

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)C3=C(N(C(=C3)C)C(C)C)C

InChI

InChI=1S/C23H33N3O2/c1-6-28-23-10-8-7-9-21(23)25-13-11-24(12-14-25)16-22(27)20-15-18(4)26(17(2)3)19(20)5/h7-10,15,17H,6,11-14,16H2,1-5H3/p+1