[4-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[1-[(2-allyloxyphenyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[1-[(2-prop-2-enoxyphenyl)methyl]-4-piperidin-1-iumyl]oxy]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[1-(2-allyloxybenzyl)piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidino-methanone Formula: C26H33N2O3+ MolecularWeight: 421.55182

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC=C1C[NH+]2CCC(CC2)OC3=CC=C(C=C3)C(=O)N4CCCC4

Isomeric SMILES

C=CCOC1=CC=CC=C1C[NH+]2CCC(CC2)OC3=CC=C(C=C3)C(=O)N4CCCC4

InChI

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