[3-[(2R)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-4-methoxy-phenyl]methyl-(1-propylpiperidin-1-ium-4-yl)azanium

Systemtic Name: [3-[(2R)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-4-methoxy-phenyl]methyl-(1-propylpiperidin-1-ium-4-yl)azanium Openeye Name: [3-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-4-methoxy-phenyl]methyl-(1-propylpiperidin-1-ium-4-yl)ammonium CAS Name: [3-[(2R)-3-(1-azocan-1-iumyl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl-(1-propyl-4-piperidin-1-iumyl)ammonium IUPAC Name: [3-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl-(1-propylpiperidin-1-ium-4-yl)azanium Traditional Name: [3-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-4-methoxy-benzyl]-(1-propylpiperidin-1-ium-4-yl)ammonium Formula: C26H48N3O3+3 MolecularWeight: 450.67762

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)[NH2+]CC2=CC(=C(C=C2)OC)OCC(C[NH+]3CCCCCCC3)O

Isomeric SMILES

CCC[NH+]1CCC(CC1)[NH2+]CC2=CC(=C(C=C2)OC)OC[C@@H](C[NH+]3CCCCCCC3)O

InChI

InChI=1S/C26H45N3O3/c1-3-13-28-16-11-23(12-17-28)27-19-22-9-10-25(31-2)26(18-22)32-21-24(30)20-29-14-7-5-4-6-8-15-29/h9-10,18,23-24,27,30H,3-8,11-17,19-21H2,1-2H3/p+3/t24-/m1/s1