[3-[(2R)-3-(azepan-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-(1-ethoxycarbonylpiperidin-4-yl)azanium

Systemtic Name: [3-[(2R)-3-(azepan-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-(1-ethoxycarbonylpiperidin-4-yl)azanium Openeye Name: [3-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]phenyl]methyl-(1-ethoxycarbonyl-4-piperidyl)ammonium CAS Name: [3-[(2R)-3-(1-azepan-1-iumyl)-2-hydroxypropoxy]phenyl]methyl-(1-ethoxycarbonyl-4-piperidinyl)ammonium IUPAC Name: [3-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxypropoxy]phenyl]methyl-(1-ethoxycarbonylpiperidin-4-yl)azanium Traditional Name: [3-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]benzyl]-(1-carbethoxy-4-piperidyl)ammonium Formula: C24H41N3O4+2 MolecularWeight: 435.60004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH2+]CC2=CC(=CC=C2)OCC(C[NH+]3CCCCCC3)O

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH2+]CC2=CC(=CC=C2)OC[C@@H](C[NH+]3CCCCCC3)O

InChI

InChI=1S/C24H39N3O4/c1-2-30-24(29)27-14-10-21(11-15-27)25-17-20-8-7-9-23(16-20)31-19-22(28)18-26-12-5-3-4-6-13-26/h7-9,16,21-22,25,28H,2-6,10-15,17-19H2,1H3/p+2/t22-/m1/s1