[1-(4-azanyl-3-methyl-phenyl)-4-(1-methylpyrrolidin-1-ium-1-yl)pyrrolidin-1-ium-2-yl]methanol dichloride

Systemtic Name: [1-(4-azanyl-3-methyl-phenyl)-4-(1-methylpyrrolidin-1-ium-1-yl)pyrrolidin-1-ium-2-yl]methanol dichloride Openeye Name: [1-(4-amino-3-methyl-phenyl)-4-(1-methylpyrrolidin-1-ium-1-yl)pyrrolidin-1-ium-2-yl]methanol dichloride CAS Name: [1-(4-amino-3-methylphenyl)-4-(1-methyl-1-pyrrolidin-1-iumyl)-2-pyrrolidin-1-iumyl]methanol dichloride IUPAC Name: [1-(4-amino-3-methylphenyl)-4-(1-methylpyrrolidin-1-ium-1-yl)pyrrolidin-1-ium-2-yl]methanol dichloride Traditional Name: [1-(4-amino-3-methyl-phenyl)-4-(1-methylpyrrolidin-1-ium-1-yl)pyrrolidin-1-ium-2-yl]methanol dichloride Formula: C17H29Cl2N3O MolecularWeight: 362.33766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[NH+]2CC(CC2CO)[N+]3(CCCC3)C)N.[Cl-].[Cl-]

Isomeric SMILES

CC1=C(C=CC(=C1)[NH+]2CC(CC2CO)[N+]3(CCCC3)C)N.[Cl-].[Cl-]

InChI

InChI=1S/C17H28N3O.2ClH/c1-13-9-14(5-6-17(13)18)19-11-16(10-15(19)12-21)20(2)7-3-4-8-20;;/h5-6,9,15-16,21H,3-4,7-8,10-12,18H2,1-2H3;2*1H/q+1;;/p-1