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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCC[N+](CC2)(C)CCCN3CCCC3)N.[Cl-]

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCC[N+](CC2)(C)CCCN3CCCC3)N.[Cl-]

InChI

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