2-methyl-4-[4-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]-1,4-diazepan-1-yl]aniline chloride

Systemtic Name: 2-methyl-4-[4-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]-1,4-diazepan-1-yl]aniline chloride Openeye Name: 2-methyl-4-[4-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]-1,4-diazepan-1-yl]aniline chloride CAS Name: 2-methyl-4-[4-[3-(1-methyl-1-pyrrolidin-1-iumyl)propyl]-1,4-diazepan-1-yl]aniline chloride IUPAC Name: 2-methyl-4-[4-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]-1,4-diazepan-1-yl]aniline chloride Traditional Name: [2-methyl-4-[4-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]-1,4-diazepan-1-yl]phenyl]amine chloride Formula: C20H35ClN4 MolecularWeight: 366.9717

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCN(CC2)CCC[N+]3(CCCC3)C)N.[Cl-]

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCN(CC2)CCC[N+]3(CCCC3)C)N.[Cl-]

InChI

InChI=1S/C20H35N4.ClH/c1-18-17-19(7-8-20(18)21)23-11-5-9-22(12-13-23)10-6-16-24(2)14-3-4-15-24;/h7-8,17H,3-6,9-16,21H2,1-2H3;1H/q+1;/p-1