1-methyl-4-[(E)-2-methylbut-2-enyl]-1,4-diazepan-1-ium

Systemtic Name: 1-methyl-4-[(E)-2-methylbut-2-enyl]-1,4-diazepan-1-ium Openeye Name: 1-methyl-4-[(E)-2-methylbut-2-enyl]-1,4-diazepan-1-ium CAS Name: 1-methyl-4-[(E)-2-methylbut-2-enyl]-1,4-diazepan-1-ium IUPAC Name: 1-methyl-4-[(E)-2-methylbut-2-enyl]-1,4-diazepan-1-ium Traditional Name: 1-methyl-4-[(E)-2-methylbut-2-enyl]-1,4-diazepan-1-ium Formula: C11H23N2+ MolecularWeight: 183.31372

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)CN1CCC[NH+](CC1)C

Isomeric SMILES

C/C=C(\C)/CN1CCC[NH+](CC1)C

InChI

InChI=1S/C11H22N2/c1-4-11(2)10-13-7-5-6-12(3)8-9-13/h4H,5-10H2,1-3H3/p+1/b11-4+