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

Systemtic Name: calcium; dimethyl(pyrrol-1-id-2-ylmethyl)azanium; oxolane Openeye Name: calcium; dimethyl(pyrrol-1-id-2-ylmethyl)ammonium; tetrahydrofuran CAS Name: calcium; dimethyl(2-pyrrol-1-idylmethyl)ammonium; oxolane IUPAC Name: calcium; dimethyl(pyrrol-1-id-2-ylmethyl)azanium; oxolane Traditional Name: calcium; dimethyl(pyrrol-1-id-2-ylmethyl)ammonium; tetrahydrofuran Formula: C22H40CaN4O2+2 MolecularWeight: 432.6566

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=C[N-]1.C[NH+](C)CC1=CC=C[N-]1.C1CCOC1.C1CCOC1.[Ca+2]

Isomeric SMILES

C[NH+](C)CC1=CC=C[N-]1.C[NH+](C)CC1=CC=C[N-]1.C1CCOC1.C1CCOC1.[Ca+2]

InChI

InChI=1S/2C7H11N2.2C4H8O.Ca/c2*1-9(2)6-7-4-3-5-8-7;2*1-2-4-5-3-1;/h2*3-5H,6H2,1-2H3;2*1-4H2;/q2*-1;;;+2/p+2