[4-(2-ethoxyphenyl)piperazin-1-yl]-(2-pyrrolidin-1-ylpyridin-1-ium-3-yl)methanone

Systemtic Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-(2-pyrrolidin-1-ylpyridin-1-ium-3-yl)methanone Openeye Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-(2-pyrrolidin-1-ylpyridin-1-ium-3-yl)methanone CAS Name: [4-(2-ethoxyphenyl)-1-piperazinyl]-[2-(1-pyrrolidinyl)-3-pyridin-1-iumyl]methanone IUPAC Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-(2-pyrrolidin-1-ylpyridin-1-ium-3-yl)methanone Traditional Name: (4-o-phenetylpiperazino)-(2-pyrrolidinopyridin-1-ium-3-yl)methanone Formula: C22H29N4O2+ MolecularWeight: 381.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=C([NH+]=CC=C3)N4CCCC4

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=C([NH+]=CC=C3)N4CCCC4

InChI

InChI=1S/C22H28N4O2/c1-2-28-20-10-4-3-9-19(20)24-14-16-26(17-15-24)22(27)18-8-7-11-23-21(18)25-12-5-6-13-25/h3-4,7-11H,2,5-6,12-17H2,1H3/p+1