calcium; 2-(dimethylazaniumyl)ethyl-dimethyl-azanium; dimethyl(pyrrol-1-id-2-ylmethyl)azanium

Systemtic Name: calcium; 2-(dimethylazaniumyl)ethyl-dimethyl-azanium; dimethyl(pyrrol-1-id-2-ylmethyl)azanium Openeye Name: calcium; 2-(dimethylammonio)ethyl-dimethyl-ammonium; dimethyl(pyrrol-1-id-2-ylmethyl)ammonium CAS Name: calcium; 2-(dimethylammonio)ethyl-dimethylammonium; dimethyl(2-pyrrol-1-idylmethyl)ammonium IUPAC Name: calcium; 2-(dimethylazaniumyl)ethyl-dimethylazanium; dimethyl(pyrrol-1-id-2-ylmethyl)azanium Traditional Name: calcium; 2-(dimethylammonio)ethyl-dimethyl-ammonium; dimethyl(pyrrol-1-id-2-ylmethyl)ammonium Formula: C20H42CaN6+4 MolecularWeight: 406.66568

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC[NH+](C)C.C[NH+](C)CC1=CC=C[N-]1.C[NH+](C)CC1=CC=C[N-]1.[Ca+2]

Isomeric SMILES

C[NH+](C)CC[NH+](C)C.C[NH+](C)CC1=CC=C[N-]1.C[NH+](C)CC1=CC=C[N-]1.[Ca+2]

InChI

InChI=1S/2C7H11N2.C6H16N2.Ca/c2*1-9(2)6-7-4-3-5-8-7;1-7(2)5-6-8(3)4;/h2*3-5H,6H2,1-2H3;5-6H2,1-4H3;/q2*-1;;+2/p+4