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

Systemtic Name: [4-methoxy-2-[1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-1-ium-4-yl]oxy-phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [2-[1-[[(4S)-4-isopropenylcyclohexen-1-yl]methyl]piperidin-1-ium-4-yl]oxy-4-methoxy-phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-methoxy-2-[[1-[[(4S)-4-(1-methylethenyl)-1-cyclohexenyl]methyl]-4-piperidin-1-iumyl]oxy]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-methoxy-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]oxy-4-methoxy-phenyl]-pyrrolidino-methanone Formula: C27H39N2O3+ MolecularWeight: 439.61016

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CCC(=CC1)C[NH+]2CCC(CC2)OC3=C(C=CC(=C3)OC)C(=O)N4CCCC4

Isomeric SMILES

CC(=C)[C@H]1CCC(=CC1)C[NH+]2CCC(CC2)OC3=C(C=CC(=C3)OC)C(=O)N4CCCC4

InChI

InChI=1S/C27H38N2O3/c1-20(2)22-8-6-21(7-9-22)19-28-16-12-23(13-17-28)32-26-18-24(31-3)10-11-25(26)27(30)29-14-4-5-15-29/h6,10-11,18,22-23H,1,4-5,7-9,12-17,19H2,2-3H3/p+1/t22-/m1/s1