1-(4-ethylpiperazin-1-yl)-3-[1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-1-ium-4-yl]propan-1-one

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-[1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-1-ium-4-yl]propan-1-one Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-[1-[(E)-3-(4-methoxyphenyl)allyl]piperidin-1-ium-4-yl]propan-1-one CAS Name: 1-(4-ethyl-1-piperazinyl)-3-[1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-4-piperidin-1-iumyl]-1-propanone IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-[1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-1-ium-4-yl]propan-1-one Traditional Name: 1-(4-ethylpiperazino)-3-[1-[(E)-3-(4-methoxyphenyl)allyl]piperidin-1-ium-4-yl]propan-1-one Formula: C24H38N3O2+ MolecularWeight: 400.57742

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)CCC2CC[NH+](CC2)CC=CC3=CC=C(C=C3)OC

Isomeric SMILES

CCN1CCN(CC1)C(=O)CCC2CC[NH+](CC2)C/C=C/C3=CC=C(C=C3)OC

InChI

InChI=1S/C24H37N3O2/c1-3-25-17-19-27(20-18-25)24(28)11-8-22-12-15-26(16-13-22)14-4-5-21-6-9-23(29-2)10-7-21/h4-7,9-10,22H,3,8,11-20H2,1-2H3/p+1/b5-4+