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

Systemtic Name: [2-[1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone Openeye Name: [2-[1-[(E)-3-(4-methoxyphenyl)allyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone CAS Name: [2-[[1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-4-piperidin-1-iumyl]oxy]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [2-[1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [2-[1-[(E)-3-(4-methoxyphenyl)allyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidino-methanone Formula: C26H33N2O3+ MolecularWeight: 421.55182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC[NH+]2CCC(CC2)OC3=CC=CC=C3C(=O)N4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C[NH+]2CCC(CC2)OC3=CC=CC=C3C(=O)N4CCCC4

InChI

InChI=1S/C26H32N2O3/c1-30-22-12-10-21(11-13-22)7-6-16-27-19-14-23(15-20-27)31-25-9-3-2-8-24(25)26(29)28-17-4-5-18-28/h2-3,6-13,23H,4-5,14-20H2,1H3/p+1/b7-6+