[4-[(2S)-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-(2-methylprop-2-enyl)azanium

Systemtic Name: [4-[(2S)-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-(2-methylprop-2-enyl)azanium Openeye Name: [4-[(2S)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-(2-methylallyl)ammonium CAS Name: [4-[(2S)-2-hydroxy-3-(4-methoxycarbonyl-1-piperidin-1-iumyl)propoxy]phenyl]methyl-(2-methylprop-2-enyl)ammonium IUPAC Name: [4-[(2S)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-(2-methylprop-2-enyl)azanium Traditional Name: [4-[(2S)-3-(4-carbomethoxypiperidin-1-ium-1-yl)-2-hydroxy-propoxy]benzyl]-(2-methylallyl)ammonium Formula: C21H34N2O4+2 MolecularWeight: 378.50566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C[NH2+]CC1=CC=C(C=C1)OCC(C[NH+]2CCC(CC2)C(=O)OC)O

Isomeric SMILES

CC(=C)C[NH2+]CC1=CC=C(C=C1)OC[C@H](C[NH+]2CCC(CC2)C(=O)OC)O

InChI

InChI=1S/C21H32N2O4/c1-16(2)12-22-13-17-4-6-20(7-5-17)27-15-19(24)14-23-10-8-18(9-11-23)21(25)26-3/h4-7,18-19,22,24H,1,8-15H2,2-3H3/p+2/t19-/m0/s1