[4-[(2S)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl-methyl-(pyrazin-2-ylmethyl)azanium

Systemtic Name: [4-[(2S)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl-methyl-(pyrazin-2-ylmethyl)azanium Openeye Name: [4-[(2S)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]methyl-methyl-(pyrazin-2-ylmethyl)ammonium CAS Name: [4-[(2S)-3-(1-azocan-1-iumyl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-methyl-(2-pyrazinylmethyl)ammonium IUPAC Name: [4-[(2S)-3-(azocan-1-ium-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-methyl-(pyrazin-2-ylmethyl)azanium Traditional Name: [4-[(2S)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-benzyl]-methyl-(pyrazin-2-ylmethyl)ammonium Formula: C24H38N4O3+2 MolecularWeight: 430.58352

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=C(C=C1)OCC(C[NH+]2CCCCCCC2)O)OC)CC3=NC=CN=C3

Isomeric SMILES

C[NH+](CC1=CC(=C(C=C1)OC[C@H](C[NH+]2CCCCCCC2)O)OC)CC3=NC=CN=C3

InChI

InChI=1S/C24H36N4O3/c1-27(17-21-15-25-10-11-26-21)16-20-8-9-23(24(14-20)30-2)31-19-22(29)18-28-12-6-4-3-5-7-13-28/h8-11,14-15,22,29H,3-7,12-13,16-19H2,1-2H3/p+2/t22-/m0/s1