[1-(4-aminophenyl)pyrrolidin-3-yl]-dimethyl-[6-(trimethylazaniumyl)hexyl]azanium

Systemtic Name: [1-(4-aminophenyl)pyrrolidin-3-yl]-dimethyl-[6-(trimethylazaniumyl)hexyl]azanium Openeye Name: [1-(4-aminophenyl)pyrrolidin-3-yl]-dimethyl-[6-(trimethylammonio)hexyl]ammonium CAS Name: [1-(4-aminophenyl)-3-pyrrolidinyl]-dimethyl-[6-(trimethylammonio)hexyl]ammonium IUPAC Name: [1-(4-aminophenyl)pyrrolidin-3-yl]-dimethyl-[6-(trimethylazaniumyl)hexyl]azanium Traditional Name: [1-(4-aminophenyl)pyrrolidin-3-yl]-dimethyl-[6-(trimethylammonio)hexyl]ammonium Formula: C21H40N4+2 MolecularWeight: 348.5691

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCCCC[N+](C)(C)C1CCN(C1)C2=CC=C(C=C2)N

Isomeric SMILES

C[N+](C)(C)CCCCCC[N+](C)(C)C1CCN(C1)C2=CC=C(C=C2)N

InChI

InChI=1S/C21H40N4/c1-24(2,3)16-8-6-7-9-17-25(4,5)21-14-15-23(18-21)20-12-10-19(22)11-13-20/h10-13,21H,6-9,14-18,22H2,1-5H3/q+2