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

Systemtic Name: [2-[1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone Openeye Name: [2-[1-[[(4S)-4-isopropenylcyclohexen-1-yl]methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone CAS Name: [2-[[1-[[(4S)-4-(1-methylethenyl)-1-cyclohexenyl]methyl]-4-piperidin-1-iumyl]oxy]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [2-[1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [2-[1-[[(4S)-4-isopropenylcyclohexen-1-yl]methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidino-methanone Formula: C26H37N2O2+ MolecularWeight: 409.58418

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CCC(=CC1)C[NH+]2CCC(CC2)OC3=CC=CC=C3C(=O)N4CCCC4

Isomeric SMILES

CC(=C)[C@H]1CCC(=CC1)C[NH+]2CCC(CC2)OC3=CC=CC=C3C(=O)N4CCCC4

InChI

InChI=1S/C26H36N2O2/c1-20(2)22-11-9-21(10-12-22)19-27-17-13-23(14-18-27)30-25-8-4-3-7-24(25)26(29)28-15-5-6-16-28/h3-4,7-9,22-23H,1,5-6,10-19H2,2H3/p+1/t22-/m1/s1