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

Systemtic Name: 2-dimethylaminoethyl-[[3-[(2S)-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl]azanium Openeye Name: 2-dimethylaminoethyl-[[3-[(2S)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl]ammonium CAS Name: 2-dimethylaminoethyl-[[3-[(2S)-2-hydroxy-3-(4-methoxycarbonyl-1-piperidin-1-iumyl)propoxy]phenyl]methyl]ammonium IUPAC Name: 2-dimethylaminoethyl-[[3-[(2S)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl]azanium Traditional Name: [3-[(2S)-3-(4-carbomethoxypiperidin-1-ium-1-yl)-2-hydroxy-propoxy]benzyl]-(2-dimethylaminoethyl)ammonium Formula: C21H37N3O4+2 MolecularWeight: 395.53618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35N3O4/c1-23(2)12-9-22-14-17-5-4-6-20(13-17)28-16-19(25)15-24-10-7-18(8-11-24)21(26)27-3/h4-6,13,18-19,22,25H,7-12,14-16H2,1-3H3/p+2/t19-/m0/s1