[1-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]piperidin-1-ium-4-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [1-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]piperidin-1-ium-4-yl]-pyrrolidin-1-yl-methanone Openeye Name: [1-[1-[(E)-3-(2-methoxyphenyl)allyl]-4-piperidyl]piperidin-1-ium-4-yl]-pyrrolidin-1-yl-methanone CAS Name: [1-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-piperidinyl]-4-piperidin-1-iumyl]-(1-pyrrolidinyl)methanone IUPAC Name: [1-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]piperidin-1-ium-4-yl]-pyrrolidin-1-ylmethanone Traditional Name: [1-[1-[(E)-3-(2-methoxyphenyl)allyl]-4-piperidyl]piperidin-1-ium-4-yl]-pyrrolidino-methanone Formula: C25H38N3O2+ MolecularWeight: 412.58812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CCN2CCC(CC2)[NH+]3CCC(CC3)C(=O)N4CCCC4

Isomeric SMILES

COC1=CC=CC=C1/C=C/CN2CCC(CC2)[NH+]3CCC(CC3)C(=O)N4CCCC4

InChI

InChI=1S/C25H37N3O2/c1-30-24-9-3-2-7-21(24)8-6-14-26-17-12-23(13-18-26)27-19-10-22(11-20-27)25(29)28-15-4-5-16-28/h2-3,6-9,22-23H,4-5,10-20H2,1H3/p+1/b8-6+