(3-azanyl-3-oxidanylidene-propyl)-[[2-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium

Systemtic Name: (3-azanyl-3-oxidanylidene-propyl)-[[2-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium Openeye Name: (3-amino-3-oxo-propyl)-[[2-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]ammonium CAS Name: (3-amino-3-oxopropyl)-[[2-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]phenyl]methyl]ammonium IUPAC Name: (3-amino-3-oxopropyl)-[[2-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]phenyl]methyl]azanium Traditional Name: (3-amino-3-keto-propyl)-[2-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]benzyl]ammonium Formula: C18H31N3O3+2 MolecularWeight: 337.45704

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(COC2=CC=CC=C2C[NH2+]CCC(=O)N)O

Isomeric SMILES

C1CC[NH+](CC1)C[C@H](COC2=CC=CC=C2C[NH2+]CCC(=O)N)O

InChI

InChI=1S/C18H29N3O3/c19-18(23)8-9-20-12-15-6-2-3-7-17(15)24-14-16(22)13-21-10-4-1-5-11-21/h2-3,6-7,16,20,22H,1,4-5,8-14H2,(H2,19,23)/p+2/t16-/m1/s1