[1-(4-azanyl-3-methyl-phenyl)pyrrolidin-3-yl]-dimethyl-[5-(trimethylazaniumyl)pentyl]azanium

Systemtic Name: [1-(4-azanyl-3-methyl-phenyl)pyrrolidin-3-yl]-dimethyl-[5-(trimethylazaniumyl)pentyl]azanium Openeye Name: [1-(4-amino-3-methyl-phenyl)pyrrolidin-3-yl]-dimethyl-[5-(trimethylammonio)pentyl]ammonium CAS Name: [1-(4-amino-3-methylphenyl)-3-pyrrolidinyl]-dimethyl-[5-(trimethylammonio)pentyl]ammonium IUPAC Name: [1-(4-amino-3-methylphenyl)pyrrolidin-3-yl]-dimethyl-[5-(trimethylazaniumyl)pentyl]azanium Traditional Name: [1-(4-amino-3-methyl-phenyl)pyrrolidin-3-yl]-dimethyl-[5-(trimethylammonio)pentyl]ammonium Formula: C21H40N4+2 MolecularWeight: 348.5691

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCC(C2)[N+](C)(C)CCCCC[N+](C)(C)C)N

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCC(C2)[N+](C)(C)CCCCC[N+](C)(C)C)N

InChI

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