[3-methoxy-4-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl-[(5-methylpyrazin-2-yl)methyl]azanium

Systemtic Name: [3-methoxy-4-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl-[(5-methylpyrazin-2-yl)methyl]azanium Openeye Name: [4-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-3-methoxy-phenyl]methyl-[(5-methylpyrazin-2-yl)methyl]ammonium CAS Name: [4-[(2R)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-3-methoxyphenyl]methyl-[(5-methyl-2-pyrazinyl)methyl]ammonium IUPAC Name: [4-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-3-methoxyphenyl]methyl-[(5-methylpyrazin-2-yl)methyl]azanium Traditional Name: [4-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-3-methoxy-benzyl]-[(5-methylpyrazin-2-yl)methyl]ammonium Formula: C21H32N4O3+2 MolecularWeight: 388.50378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=N1)C[NH2+]CC2=CC(=C(C=C2)OCC(C[NH+]3CCCC3)O)OC

Isomeric SMILES

CC1=CN=C(C=N1)C[NH2+]CC2=CC(=C(C=C2)OC[C@@H](C[NH+]3CCCC3)O)OC

InChI

InChI=1S/C21H30N4O3/c1-16-10-24-18(13-23-16)12-22-11-17-5-6-20(21(9-17)27-2)28-15-19(26)14-25-7-3-4-8-25/h5-6,9-10,13,19,22,26H,3-4,7-8,11-12,14-15H2,1-2H3/p+2/t19-/m1/s1